National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 21August 2020
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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Molecules with F in CCCBDB

Click on the molecule name for links to all the data in the CCCBDB for that molecule.
Molecule Name Cation Name Anion Name
F Fluorine atom F+ Fluorine atom cation F- Fluorine atom anion
HF Hydrogen fluoride HF+ hydrogen fluoride cation HF- hydrogen fluoride anion
DF Hydrofluoric acid-d
LiF lithium fluoride LiF+ lithium fluoride cation LiF- lithium fluoride anion
BeF Beryllium monofluoride BeF+ Beryllium monofluoride cation BeF- Beryllium monofluoride anion
BF Boron monofluoride BF+ Boron monofluoride cation BF- Boron monofluoride anion
CF Fluoromethylidyne CF+ carbon monofluoride cation CF- carbon monofluoride anion
NF nitrogen fluoride NF+ nitrogen monofluoirde cation NF- nitrogen monofluorine anion
FO Oxygen monofluoride FO+ fluorine monoxide cation FO- flourine oxide anion
F2 Fluorine diatomic F2+ flourine diatomic cation F2- flourine diatomic anion
NaF sodium fluoride NaF+ sodium fluoride cation NaF- sodium fluoride anion
MgF Magnesium monofluoride MgF+ magnesium fluoride cation MgF- magnesium fluoride anion
AlF Aluminum monofluoride AlF+ Aluminum monofluoride cation AlF- Aluminum monofluoride anion
SiF silicon monofluoride SiF+ silicon monofluoride cation SiF- silicon monofluoride anion
PF phosphorus monofluoride PF+ phosphorus monofluoride cation PF- phosphorus monofluoride anion
SF Monosulfur monofluoride SF+ sulfur monofluoride cation SF- sulfur monofluoride anion
ClF Chlorine monofluoride ClF+ clorine monofluoride cation ClF- clorine monofluoride anion
KF Potassium Fluoride
CaF Calcium monofluoride
ScF Scandium monofluoride
CuF Copper monofluoride
ZnF Zinc monofluoride ZnF+ Zinc monofluoride cation ZnF- Zinc monofluoride anion
GaF Gallium monofluoride GaF+ Gallium monofluoride cation
GeF Germanium monofluoride GeF+ Germanium monofluoride cation
AsF Arsenic monofluoride
SeF Selenium monofluoride
BrF Bromine monofluoride BrF+ bromine fluoride cation BrF- bromine fluoride anion
IF Iodine monofluoride
   H2F+ dihydrogen fluoride cation
HCF Fluoromethylene
HOF Hypofluorous acid
   F2H+ Fluorine, protonated
FCN Cyanogen fluoride
BeF2 Beryllium fluoride
CNF iso cyanogen fluoride
FCO Carbonyl fluoride FCO+ Carbonyl fluoride cation
BF2 Boron difluoride radical
CF2 Difluoromethylene CF2+ Difluoromethylene cation CF2- Difluoromethylene anion
FNO Nitrosyl fluoride
NF2 Difluoroamino radical NF2+ Difluoroamino cation
FO2 Dioxygen monofluoride radical
F2O Difluorine monoxide
     F3- trifluoride anion
MgF2 Magnesium fluoride
SiF2 Silicon difluoride SiF2+ Silicon difluoride cation
PF2 Phosphorus difluoride PF2+ Phosphorus difluoride cation
FNS Thionitrosyl fluoride
FSN Thiazyl fluoride
SF2 sulfur difluoride SF2+ sulfur difluoride cation SF2- sulfur difluoride anion
SFCl Sulfur chloride fluoride
FClO chlorosyl fluoride
   ClFH+ Chlorine fluoride, F-protonated
   FClH+ Chlorine fluoride, Cl-protonated
CFCl chlorofluoromethylene
ClOF Chlorine hypofluorite
CaF2 Calcium difluoride
CuF2 Copper difluoride
ZnF2 Zinc difluoride
GeF2 Germanium difluoride
KrF2 Krypton difluoride
XeF2 Xenon difluoride
CH2F fluoromethyl radical CH2F+ fluoromethyl cation
NH2F monofluoroamine
H2F2 Hydrogen fluoride dimer
HCCF Fluoroacetylene HCCF+ fluoroacetylene cation
HFCO formyl fluoride HFCO+ formyl fluoride cation
Li2F2 Lithium fluoride dimer
BHF2 Difluoroborane
CHF2 difluoromethyl radical CHF2+ difluoromethyl cation
NHF2 difluoramine
C2F2 difluoroacetylene
CF2O Carbonic difluoride CF2O+ Carbonic difluoride cation
BF3 Borane, trifluoro- BF3+ boron trifluoride cation BF3- Borane, trifluoro- anion
FNO2 Nitryl fluoride
N2F2 Dinitrogen difluoride, (E)-
N2F2 (Z)-Difluorodiazene
FONO Nitrosyl hypofluorite
CF3 Trifluoromethyl radical CF3+ Trifluoromethyl cation CF3- Trifluoromethyl anion
FOOF Perfluoroperoxide
NF3 Nitrogen trifluoride NF3+ Nitrogen trifluoride cation NF3- Nitrogen trifluoride anion
Na2F2 Sodium Fluoride Dimer
AlF3 Aluminum trifluoride
SiF3 Silicon trifluoride radical SiF3+ Silicon trifluoride cation
PF3 Phosphorus trifluoride
F2SO Thionyl Fluoride
SF3 Sulfur trifluoride
FSSF Difluorodisulfane
S2F2 Thio-thionyl fluoride
CHFCl Chlorofluoromethyl radical CHFCl+ Chlorofluoromethyl cation
COFCl Carbonic chloride fluoride
CF2Cl difluorochloromethyl radical
ClO2F Chloryl fluoride
ClF3 Chlorine trifluoride
AlF2Cl Aluminum chloride difluoride
CFCl2 dichlorofluoromethyl radical
AlFCl2 Aluminum dichloride fluoride
ScF3 Scandium trifluoride
GaF3 Gallium trifluoride
AsF3 Arsenic trifluoride
BrF3 Bromine trifluoride
IF3 iodone trifluoride
CD3F methylfluoride-d3
CH3F Methyl fluoride CH3F+ methyl fluoride cation
CH2F2 Methane, difluoro-
CHF3 Methane, trifluoro-
   NF3H+ protonated nitrogen trifluoride
FNO3 Fluorine nitrate
     BF4- tetrafluoroboron anion
CF4 Carbon tetrafluoride
F3NO Nitrogen trifluoride oxide
SiH3F monofluorosilane
SiH2F2 difluorosilane
SiHF3 trifluorosilane
SiF4 Silicon tetrafluoride
F3PO Phosphoryl fluoride
SO2F2 Sulfuryl fluoride
SF4 Sulfur tetrafluoride
CH2FCl fluorochloromethane
CHF2Cl difluorochloromethane
CHFCl2 fluorodichloromethane
CF3Cl Methane, chlorotrifluoro-
ClFO3 Perchloryl fluoride
ClOF3 Chlorine trifluoride oxide
CF2Cl2 difluorodichloromethane
CFCl3 Trichloromonofluoromethane
TiF4 Titanium tetrafluoride
GeF4 Germanium tetrafluoride
   AsF3H+ Arsenic trifluoride, protonated
SeF4 Selenium tetrafluoride
CH2BrF Methane, bromofluoro-
CHBrF2 Methane, bromodifluoro-
CF3Br Bromotrifluoromethane
CHFClBr fluorochlorobromomethane
CBrClF2 Methane, bromochlorodifluoro-
CBrCl2F bromodichlorofluoromethane
CHBr2F dibromofluoromethane
CBr2F2 Methane, dibromodifluoro-
CBr2ClF dibromochlorofluoromethane
CFBr3 fluorotribromomethane
CH2FI fluoroiodomethane
CF3I trifluoroiodomethane
XeF4 Xenon tetrafluoride
CH2CHF Ethene, fluoro- CH2CHF+ fluoroethene cation
CH2FOH fluoromethanol
CH2CF2 Ethene, 1,1-difluoro-
C2H2F2 Ethene, 1,2-difluoro-, (Z)-
C2H2F2 Ethene, 1,2-difluoro-, (E)-
C2HF3 Trifluoroethylene C2HF3+ Trifluoroethylene cation
CF3OH trifluoromethanol
C4F2 difluorobutadiyne
CF3CN Acetonitrile, trifluoro- CF3CN+ Acetonitrile, trifluoro- cation
B2F4 Diboron tetrafluoride
C2F4 Tetrafluoroethylene C2F4+ Tetrafluoroethylene cation
CF3OF Trifluoromethylhypofluorite
     SiF5- silicon pentafluoride anion
PF5 Phosphorus pentafluoride
HSO3F Fluorosulfonic acid
SF5 Sulfur pentafluoride SF5+ pentafluoro sulfur cation
CHFCHClz (Z)-1-Chloro-2-fluoroethene
CHFCHCl (E)-1-chloro-2-fluoroethene
C2H2ClF 1-chloro-1-fluoroethylene
C2ClF3 Ethene, chlorotrifluoro-
ClF5 chlorinepentafluoride
CF2CCl2 difluorodichloroethylene
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene
SOF4 Sulfur tetrafluoride oxide
AsF5 Arsenic pentafluoride
CHBrCF2 1-Bromo-2,2-difluoroethylene
BrF5 bromine pentafluoride
IF5 pentafluoroiodine
CH3COF Acetyl fluoride
CF3CHO trifluoroacetaldehyde
F2CCCF2 tetrafluoroallene
     CF3COO- trifluoro acetate anion
CF3COF trifluoroacetyl fluoride
PF3CH2 phosphorane, trifluoromethylene-
CF3PH2 phosphine, (trifluoromethyl)-
PF6 Hexafluorophosphate neutral    PF6- Hexafluorophosphate ion
SF6 Sulfur Hexafluoride
CF3COCl trifluoroacetyl chloride
SF5Cl sulfur chloropentafluoride
SeF6 Selenium hexafluoride
C2H5F fluoroethane
CH3CHF2 Ethane, 1,1-difluoro-
C2H4F2 1,2-difluoroethane
CH3CF3 Ethane, 1,1,1-trifluoro-
CHF2CH2F Ethane, 1,1,2-trifluoro
NH3BF3 Amminetrifluoroboron
CHF2CHF2 1,1,2,2-tetrafluoroethane
CF3CH2F 1,1,1,2-tetrafluoroethane
CF3COOH trifluoroacetic acid
CF3CHF2 pentafluoroethane
C4F4 tetrafluorcyclobutadiene
C2F6 hexafluoroethane
CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
CH3CHFCl Ethane, 1-chloro-1-fluoro-
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro-
CH3CF2Cl 1-Chloro-1,1-Difluoroethane
CF3CH2Cl 2,2,2-Trifluoroethyl chloride
CH3CFCl2 1,1-Dichloro-1-fluoroethane
CF3CHFCl 1,1,1,2-tetrafluorochloroethane
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR
CF3CF2Cl pentafluorochloroethane
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
CF3CFCl2 1,1-Dichlorotetrafluoroethane
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane
IF7 Iodine heptafluoride
CH2FCH2OH 2-fluoroethanol
C3F6 hexafluoropropene
C4F6 perfluorobutadiene
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)-
CH3CHFCH3 2-Fluoropropane
CH2FCH2CH3 1-Fluoropropane
C3F8 perfluoropropane
C6H5F Fluorobenzene
C6H4F2 orthodifluorobenzene
C6H4F2 metadifluorobenzene
C6H4F2 1,4-difluorobenzene
C6H3F3 Benzene trifluoride 123
C6F6 hexafluorobenzene
C4H9F 1-fluorobutane