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Geometry for CH2FCH2CH3 (1-Fluoropropane) 1A C1 gauche

1910171554
InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3 INChIKey=JRHNUZCXXOTJCA-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7906 0.5118 0.3013   -0.8282 0.4662 0.2731
C2 -0.5941 0.6438 -0.2877   0.5525 0.6729 -0.3037
C3 -1.5395 -0.4791 0.1183   1.5669 -0.3669 0.1540
F4 1.4127 -0.6503 -0.1708   -1.3621 -0.7522 -0.1640
H5 1.4340 1.3555 0.0180   -1.5239 1.2528 -0.0482
H6 0.7608 0.4330 1.3976   -0.8089 0.4284 1.3718
H7 -0.5064 0.6948 -1.3819   0.4773 0.6790 -1.4000
H8 -0.9932 1.6156 0.0407   0.8791 1.6809 -0.0060
H9 -2.5290 -0.3414 -0.3339   2.5510 -0.1771 -0.2911
H10 -1.1530 -1.4532 -0.2033   1.2530 -1.3761 -0.1367
H11 -1.6705 -0.5111 1.2085   1.6840 -0.3512 1.2461
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5106 2.5387 1.4001 1.0981 1.0995 2.1328 2.1139 3.4859 2.8096 2.8154
C2 1.5106 1.5230 2.3908 2.1709 2.1726 1.0989 1.1007 2.1718 2.1719 2.1751
C3 2.5387 1.5230 2.9712 3.4953 2.7856 2.1670 2.1662 1.0967 1.0962 1.0985
F4 1.4001 2.3908 2.9712 2.0148 2.0145 2.6380 3.3118 3.9572 2.6886 3.3805
H5 1.0981 2.1709 3.4953 2.0148 1.7909 2.4822 2.4412 4.3253 3.8250 3.8130
H6 1.0995 2.1726 2.7856 2.0145 1.7909 3.0659 2.5132 3.7974 3.1278 2.6150
H7 2.1328 1.0989 2.1670 2.6380 2.4822 3.0659 1.7632 2.5026 2.5340 3.0854
H8 2.1139 1.1007 2.1662 3.3118 2.4412 2.5132 1.7632 2.5157 3.0826 2.5190
H9 3.4859 2.1718 1.0967 3.9572 4.3253 3.7974 2.5026 2.5157 1.7738 1.7734
H10 2.8096 2.1719 1.0962 2.6886 3.8250 3.1278 2.5340 3.0826 1.7738 1.7744
H11 2.8154 2.1751 1.0985 3.3805 3.8130 2.6150 3.0854 2.5190 1.7734 1.7744
Maximum atom distance is 4.3253Å between atoms H5 and H9.
picture of 1-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 113.616 C2 C1 F4 110.387
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.611 C1 C2 H8 107.052
C2 C1 H5 111.672 C2 C1 H6 111.726
C2 C3 H9 110.950 C2 C3 H10 110.987
C2 C3 H11 111.105 C3 C2 H7 110.438
C3 C2 H8 110.264 F4 C1 H5 106.885
F4 C1 H6 106.782 H5 C1 H6 109.157
H7 C2 H8 106.564 H9 C3 H10 107.981
H9 C3 H11 107.776 H10 C3 H11 107.898

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