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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

B97D3/daug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7829 -0.5851 -0.2920   -0.7617 -0.5987 -0.3194
C2 0.4690 0.0203 0.3273   0.4631 0.0247 0.3352
F3 -1.9026 0.1105 0.1562   -1.9071 0.0542 0.1281
F4 1.5405 -0.7789 -0.0041   1.5615 -0.7360 0.0011
F5 0.7028 1.2716 -0.1816   0.6698 1.2947 -0.1379
H6 -0.7295 -0.5134 -1.3836   -0.6933 -0.4974 -1.4078
H7 -0.8730 -1.6320 0.0179   -0.8274 -1.6552 -0.0376
H8 0.4191 0.1047 1.4193   0.3939 0.0796 1.4281
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5223 1.3923 2.3492 2.3805 1.0952 1.0955 2.2021
C2 1.5223 2.3794 1.3772 1.3709 2.1559 2.1510 1.0964
F3 1.3923 2.3794 3.5597 2.8723 2.0338 2.0287 2.6430
F4 2.3492 1.3772 3.5597 2.2222 2.6695 2.5599 2.0161
F5 2.3805 1.3709 2.8723 2.2222 2.5850 3.3096 2.0013
H6 1.0952 2.1559 2.0338 2.6695 2.5850 1.7989 3.0915
H7 1.0955 2.1510 2.0287 2.5599 3.3096 1.7989 2.5786
H8 2.2021 1.0964 2.6430 2.0161 2.0013 3.0915 2.5786
Maximum atom distance is 3.5597Å 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 108.129 C1 C2 F5 110.626
C2 C1 F3 109.370 F4 C2 F5 107.922
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.473 C2 C1 H6 109.832
C2 C1 H7 109.427 F3 C1 H6 109.109
F3 C1 H7 108.679 F4 C2 H8 108.648
F5 C2 H8 107.891 H6 C1 H7 110.400

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