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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

MP2/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7557 -0.6149 -0.2754   -0.7336 -0.6287 -0.3027
C2 0.4656 0.0219 0.3351   0.4598 0.0264 0.3428
F3 -1.8732 0.0964 0.1442   -1.8772 0.0396 0.1174
F4 1.5528 -0.7397 -0.0128   1.5733 -0.6949 -0.0076
F5 0.6360 1.2741 -0.1835   0.6019 1.2959 -0.1409
H6 -0.6763 -0.5670 -1.3641   -0.6394 -0.5503 -1.3885
H7 -0.8423 -1.6539 0.0516   -0.7952 -1.6778 -0.0038
H8 0.4188 0.1017 1.4234   0.3946 0.0765 1.4319
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5066 1.3896 2.3267 2.3481 1.0927 1.0926 2.1860
C2 1.5066 2.3478 1.3722 1.3659 2.1303 2.1447 1.0922
F3 1.3896 2.3478 3.5300 2.7912 2.0366 2.0334 2.6249
F4 2.3267 1.3722 3.5300 2.2192 2.6123 2.5645 2.0141
F5 2.3481 1.3659 2.7912 2.2192 2.5506 3.2884 2.0009
H6 1.0927 2.1303 2.0366 2.6123 2.5506 1.7925 3.0686
H7 1.0926 2.1447 2.0334 2.5645 3.2884 1.7925 2.5602
H8 2.1860 1.0922 2.6249 2.0141 2.0009 3.0686 2.5602
Maximum atom distance is 3.5300Å 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 107.749 C1 C2 F5 109.560
C2 C1 F3 108.254 F4 C2 F5 108.282
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.568 C2 C1 H6 109.043
C2 C1 H7 110.182 F3 C1 H6 109.684
F3 C1 H7 109.430 F4 C2 H8 109.095
F5 C2 H8 108.465 H6 C1 H7 110.217

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