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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

HF/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7803 -0.5448 -0.3573   0.8011 -0.5137 -0.3573
C2 0.4445 0.0158 0.3268   -0.4498 -0.0047 0.3198
F3 -1.9149 0.1008 0.1961   1.9080 0.1500 0.2297
F4 1.5254 -0.8144 0.0253   -1.5017 -0.8575 -0.0189
F5 0.7547 1.2716 -0.1810   -0.7879 1.2537 -0.1631
H6 -0.7610 -0.3450 -1.4148   0.7926 -0.2891 -1.4099
H7 -0.8697 -1.5992 -0.1606   0.9175 -1.5697 -0.1842
H8 0.3587 0.0968 1.3942   -0.3831 0.0530 1.3900
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5107 1.4179 2.3528 2.3846 1.0763 1.0764 2.1856
C2 1.5107 2.3646 1.3959 1.3896 2.1486 2.1384 1.0739
F3 1.4179 2.3646 3.5641 2.9394 2.0310 2.0273 2.5700
F4 2.3528 1.3959 3.5641 2.2334 2.7426 2.5273 2.0163
F5 2.3846 1.3896 2.9394 2.2334 2.5363 3.2986 2.0045
H6 1.0763 2.1486 2.0310 2.7426 2.5363 1.7770 3.0560
H7 1.0764 2.1384 2.0273 2.5273 3.2986 1.7770 2.6083
H8 2.1856 1.0739 2.5700 2.0163 2.0045 3.0560 2.6083
Maximum atom distance is 3.5641Å 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 108.017 C1 C2 F5 110.538
C2 C1 F3 107.644 F4 C2 F5 106.600
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.415 C2 C1 H6 111.191
C2 C1 H7 110.370 F3 C1 H6 108.259
F3 C1 H7 107.953 F4 C2 H8 108.747
F5 C2 H8 108.230 H6 C1 H7 111.274

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