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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

CID/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7607 -0.6031 -0.2767   0.7813 -0.5752 -0.2785
C2 0.4645 0.0209 0.3305   -0.4699 0.0003 0.3234
F3 -1.8610 0.1043 0.1466   1.8549 0.1518 0.1787
F4 1.5340 -0.7411 -0.0104   -1.5125 -0.7825 -0.0522
F5 0.6497 1.2571 -0.1829   -0.6815 1.2428 -0.1638
H6 -0.6900 -0.5531 -1.3598   0.7259 -0.5014 -1.3612
H7 -0.8519 -1.6367 0.0452   0.8963 -1.6133 0.0205
H8 0.4143 0.1004 1.4118   -0.4386 0.0553 1.4069
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5030 1.3748 2.3143 2.3363 1.0866 1.0864 2.1740
C2 1.5030 2.3343 1.3568 1.3513 2.1259 2.1359 1.0854
F3 1.3748 2.3343 3.5023 2.7823 2.0181 2.0149 2.6034
F4 2.3143 1.3568 3.5023 2.1920 2.6082 2.5491 1.9961
F5 2.3363 1.3513 2.7823 2.1920 2.5411 3.2682 1.9840
H6 1.0866 2.1259 2.0181 2.6082 2.5411 1.7817 3.0543
H7 1.0864 2.1359 2.0149 2.5491 3.2682 1.7817 2.5473
H8 2.1740 1.0854 2.6034 1.9961 1.9840 3.0543 2.5473
Maximum atom distance is 3.5023Å 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 107.934 C1 C2 F5 109.758
C2 C1 F3 108.325 F4 C2 F5 108.079
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.275 C2 C1 H6 109.301
C2 C1 H7 110.106 F3 C1 H6 109.593
F3 C1 H7 109.335 F4 C2 H8 109.137
F5 C2 H8 108.533 H6 C1 H7 110.152

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