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Geometry for CH3CHFCH3 (2-Fluoropropane) 1A' CS

1910171554
InChI=1S/C3H7F/c1-3(2)4/h3H,1-2H3 INChIKey=PRNZBCYBKGCOFI-UHFFFAOYSA-N

MP3/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2773 0.2470 0.0000   0.0000 0.0427 0.3689
F2 -0.8653 1.0462 0.0000   0.0000 1.3535 -0.1066
H3 1.1449 0.9327 0.0000   0.0000 0.1050 1.4730
C4 0.2773 -0.5873 1.2737   1.2737 -0.6400 -0.1107
C5 0.2773 -0.5873 -1.2737   -1.2737 -0.6400 -0.1107
H6 1.1924 -1.2002 1.3331   1.3331 -1.6675 0.2857
H7 1.1924 -1.2002 -1.3331   -1.3331 -1.6675 0.2857
H8 0.2321 0.0665 2.1595   2.1595 -0.0790 0.2281
H9 0.2321 0.0665 -2.1595   -2.1595 -0.0790 0.2281
H10 -0.5988 -1.2578 1.2874   1.2874 -0.6849 -1.2130
H11 -0.5988 -1.2578 -1.2874   -1.2874 -0.6849 -1.2130
Atom - Atom Distances (Å)
  C1 F2 H3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.3944 1.1058 1.5227 1.5227 2.1700 2.1700 2.1675 2.1675 2.1655 2.1655
F2 1.3944 2.0134 2.3657 2.3657 3.3253 3.3253 2.6129 2.6129 2.6527 2.6527
H3 1.1058 2.0134 2.1646 2.1646 2.5157 2.5157 2.4994 2.4994 3.0815 3.0815
C4 1.5227 2.3657 2.1646 2.5475 1.1029 2.8299 1.1018 3.4952 1.1033 2.7886
C5 1.5227 2.3657 2.1646 2.5475 2.8299 1.1029 3.4952 1.1018 2.7886 1.1033
H6 2.1700 3.3253 2.5157 1.1029 2.8299 2.6662 1.7915 3.8373 1.7926 3.1747
H7 2.1700 3.3253 2.5157 2.8299 1.1029 2.6662 3.8373 1.7915 3.1747 1.7926
H8 2.1675 2.6129 2.4994 1.1018 3.4952 1.7915 3.8373 4.3189 1.7901 3.7848
H9 2.1675 2.6129 2.4994 3.4952 1.1018 3.8373 1.7915 4.3189 3.7848 1.7901
H10 2.1655 2.6527 3.0815 1.1033 2.7886 1.7926 3.1747 1.7901 3.7848 2.5748
H11 2.1655 2.6527 3.0815 2.7886 1.1033 3.1747 1.7926 3.7848 1.7901 2.5748
Maximum atom distance is 4.3189Å between atoms H8 and H9.
picture of 2-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 C4 108.304 F2 C1 C5 108.304
C4 C1 C5 113.547
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H8 110.321 C1 C4 H10 110.080
C1 C5 H7 110.458 C1 C5 H9 110.321
C1 C5 H11 110.080 F2 C1 H3 106.709
H3 C1 C4 109.863 H3 C1 C5 109.863
H7 C5 H9 108.694 H7 C5 H11 108.691
H8 C4 H10 108.545 H9 C5 H11 108.545

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.