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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

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8021 0.4948 0.2996   -0.8382 0.4488 0.2720
C2 -0.5850 0.6488 -0.2819   0.5433 0.6771 -0.2981
C3 -1.5389 -0.4720 0.1168   1.5656 -0.3608 0.1521
F4 1.3940 -0.6463 -0.1728   -1.3440 -0.7462 -0.1660
H5 1.4377 1.3258 0.0235   -1.5250 1.2239 -0.0415
H6 0.7729 0.4193 1.3798   -0.8194 0.4135 1.3545
H7 -0.5032 0.7025 -1.3623   0.4736 0.6870 -1.3807
H8 -0.9744 1.6063 0.0520   0.8617 1.6703 0.0056
H9 -2.5168 -0.3189 -0.3232   2.5371 -0.1565 -0.2815
H10 -1.1689 -1.4333 -0.2151   1.2669 -1.3563 -0.1494
H11 -1.6624 -0.5147 1.1938   1.6763 -0.3570 1.2313
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5119 2.5393 1.3696 1.0820 1.0832 2.1234 2.1101 3.4735 2.8049 2.8093
C2 1.5119 1.5248 2.3675 2.1547 2.1582 1.0848 1.0862 2.1610 2.1635 2.1661
C3 2.5393 1.5248 2.9522 3.4786 2.7810 2.1540 2.1546 1.0832 1.0822 1.0849
F4 1.3696 2.3675 2.9522 1.9823 1.9829 2.6140 3.2762 3.9273 2.6813 3.3506
H5 1.0820 2.1547 3.4786 1.9823 1.7616 2.4649 2.4285 4.2969 3.8031 3.7904
H6 1.0832 2.1582 2.7810 1.9829 1.7616 3.0377 2.4950 3.7772 3.1220 2.6149
H7 2.1234 1.0848 2.1540 2.6140 2.4649 3.0377 1.7433 2.4855 2.5141 3.0592
H8 2.1101 1.0862 2.1546 3.2762 2.4285 2.4950 1.7433 2.4953 3.0575 2.5052
H9 3.4735 2.1610 1.0832 3.9273 4.2969 3.7772 2.4855 2.4953 1.7523 1.7520
H10 2.8049 2.1635 1.0822 2.6813 3.8031 3.1220 2.5141 3.0575 1.7523 1.7528
H11 2.8093 2.1661 1.0849 3.3506 3.7904 2.6149 3.0592 2.5052 1.7520 1.7528
Maximum atom distance is 4.2969Å 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 113.484 C2 C1 F4 110.403
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.600 C1 C2 H8 107.482
C2 C1 H5 111.257 C2 C1 H6 111.468
C2 C3 H9 110.774 C2 C3 H10 111.032
C2 C3 H11 111.083 C3 C2 H7 110.117
C3 C2 H8 110.080 F4 C1 H5 107.333
F4 C1 H6 107.311 H5 C1 H6 108.899
H7 C2 H8 106.827 H9 C3 H10 108.035
H9 C3 H11 107.816 H10 C3 H11 107.967

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