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Geometry for CHF2CH2F (Ethane, 1,1,2-trifluoro) 1A C1

1910171554
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2 INChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N

HSEh1PBE/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7770 -0.5802 -0.2869   -0.7560 -0.5937 -0.3141
C2 0.4664 0.0204 0.3244   0.4605 0.0248 0.3323
F3 -1.8822 0.1113 0.1536   -1.8867 0.0555 0.1259
F4 1.5243 -0.7685 -0.0049   1.5450 -0.7259 0.0002
F5 0.6948 1.2565 -0.1803   0.6622 1.2793 -0.1370
H6 -0.7175 -0.5122 -1.3758   -0.6816 -0.4960 -1.3998
H7 -0.8623 -1.6245 0.0219   -0.8169 -1.6476 -0.0333
H8 0.4118 0.1016 1.4134   0.3869 0.0763 1.4220
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5100 1.3761 2.3261 2.3560 1.0926 1.0923 2.1838
C2 1.5100 2.3565 1.3601 1.3545 2.1391 2.1360 1.0934
F3 1.3761 2.3565 3.5218 2.8396 2.0209 2.0175 2.6172
F4 2.3261 1.3601 3.5218 2.1953 2.6402 2.5356 2.0016
F5 2.3560 1.3545 2.8396 2.1953 2.5597 3.2810 1.9884
H6 1.0926 2.1391 2.0209 2.6402 2.5597 1.7921 3.0711
H7 1.0923 2.1360 2.0175 2.5356 3.2810 1.7921 2.5572
H8 2.1838 1.0934 2.6172 2.0016 1.9884 3.0711 2.5572
Maximum atom distance is 3.5218Å between atoms F3 and F4.
picture of Ethane, 1,1,2-trifluoro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 108.166 C1 C2 F5 110.544
C2 C1 F3 109.383 F4 C2 F5 107.933
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.058 C2 C1 H6 109.506
C2 C1 H7 109.275 F3 C1 H6 109.354
F3 C1 H7 109.096 F4 C2 H8 108.847
F5 C2 H8 108.163 H6 C1 H7 110.211

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