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Geometry for CH3CHFCH3 (2-Fluoropropane) 1A' CS

1910171554
InChI=1S/C3H7F/c1-3(2)4/h3H,1-2H3 INChIKey=PRNZBCYBKGCOFI-UHFFFAOYSA-N

QCISD(T)/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2803 0.2466 0.0000   0.1458 0.1988 0.2803
F2 -0.8737 1.0476 0.0000   0.6195 0.8448 -0.8737
H3 1.1476 0.9381 0.0000   0.5548 0.7565 1.1476
C4 0.2803 -0.5882 1.2758   0.6810 -1.2288 0.2803
C5 0.2803 -0.5882 -1.2758   -1.3767 0.2802 0.2803
H6 1.1986 -1.2020 1.3353   0.3660 -1.7589 1.1986
H7 1.1986 -1.2020 -1.3353   -1.7876 -0.1796 1.1986
H8 0.2349 0.0683 2.1634   1.7849 -1.2243 0.2349
H9 0.2349 0.0683 -2.1634   -1.7042 1.3344 0.2349
H10 -0.5984 -1.2601 1.2895   0.2947 -1.7787 -0.5984
H11 -0.5984 -1.2601 -1.2895   -1.7850 -0.2536 -0.5984
Atom - Atom Distances (Å)
  C1 F2 H3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.4047 1.1092 1.5246 1.5246 2.1736 2.1736 2.1712 2.1712 2.1691 2.1691
F2 1.4047 2.0242 2.3738 2.3738 3.3373 3.3373 2.6207 2.6207 2.6578 2.6578
H3 1.1092 2.0242 2.1701 2.1701 2.5230 2.5230 2.5040 2.5040 3.0892 3.0892
C4 1.5246 2.3738 2.1701 2.5517 1.1062 2.8351 1.1049 3.5016 1.1062 2.7936
C5 1.5246 2.3738 2.1701 2.5517 2.8351 1.1062 3.5016 1.1049 2.7936 1.1062
H6 2.1736 3.3373 2.5230 1.1062 2.8351 2.6706 1.7967 3.8449 1.7985 3.1815
H7 2.1736 3.3373 2.5230 2.8351 1.1062 2.6706 3.8449 1.7967 3.1815 1.7985
H8 2.1712 2.6207 2.5040 1.1049 3.5016 1.7967 3.8449 4.3268 1.7951 3.7922
H9 2.1712 2.6207 2.5040 3.5016 1.1049 3.8449 1.7967 4.3268 3.7922 1.7951
H10 2.1691 2.6578 3.0892 1.1062 2.7936 1.7985 3.1815 1.7951 3.7922 2.5790
H11 2.1691 2.6578 3.0892 2.7936 1.1062 3.1815 1.7985 3.7922 1.7951 2.5790
Maximum atom distance is 4.3268Å between atoms H8 and H9.
picture of 2-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 C4 108.191 F2 C1 C5 108.191
C4 C1 C5 113.610
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H8 110.301 C1 C4 H10 110.053
C1 C5 H7 110.413 C1 C5 H9 110.301
C1 C5 H11 110.053 F2 C1 H3 106.664
H3 C1 C4 109.959 H3 C1 C5 109.959
H7 C5 H9 108.701 H7 C5 H11 108.766
H8 C4 H10 108.559 H9 C5 H11 108.559

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