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Geometry for CH2FCH2OH (2-fluoroethanol) 1A C1

1910171554
InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2 INChIKey=

PBEPBEultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6956 0.5899 0.2738   -0.6804 0.6117 0.2637
C2 -0.7209 0.5775 -0.2745   0.7479 0.5539 -0.2500
O3 1.4292 -0.5381 -0.1844   -1.4426 -0.4838 -0.2255
F4 -1.3320 -0.6138 0.1598   1.3046 -0.6635 0.1850
H5 1.2292 1.4905 -0.0771   -1.1724 1.5349 -0.0894
H6 0.6525 0.6324 1.3846   -0.6635 0.6405 1.3756
H7 -1.3165 1.4353 0.0905   1.3647 1.3855 0.1396
H8 -0.7139 0.5723 -1.3799   0.7681 0.5610 -1.3551
H9 0.8552 -1.3058 0.0226   -0.9020 -1.2741 -0.0138
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7 H8 H9
C1 1.5189 1.4214 2.3607 1.1041 1.1124 2.1902 2.1729 1.9189
C2 1.5189 2.4240 1.4076 2.1623 2.1545 1.1063 1.1054 2.4737
O3 1.4214 2.4240 2.7836 2.0412 2.1059 3.3925 2.6935 0.9807
F4 2.3607 1.4076 2.7836 3.3232 2.6441 2.0504 2.0395 2.2981
H5 1.1041 2.1623 2.0412 3.3232 1.7903 2.5519 2.5132 2.8230
H6 1.1124 2.1545 2.1059 2.6441 1.7903 2.4892 3.0843 2.3776
H7 2.1902 1.1063 3.3925 2.0504 2.5519 2.4892 1.8083 3.4978
H8 2.1729 1.1054 2.6935 2.0395 2.5132 3.0843 1.8083 2.8207
H9 1.9189 2.4737 0.9807 2.2981 2.8230 2.3776 3.4978 2.8207
Maximum atom distance is 3.4978Å between atoms H7 and H9.
picture of 2-fluoroethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 107.479 C2 C1 O3 111.011
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.129 C1 C2 H8 110.798
C1 O3 H9 104.545 C2 C1 H5 110.041
C2 C1 H6 108.943 O3 C1 H5 107.184
O3 C1 H6 111.848

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