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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

B97D3/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7897 0.5201 0.3065   0.7504 0.5788 0.2998
C2 -0.6015 0.6430 -0.2944   -0.6388 0.5940 -0.3180
C3 -1.5551 -0.4847 0.1196   -1.5215 -0.5823 0.1176
F4 1.4368 -0.6516 -0.1714   1.4782 -0.5603 -0.1392
H5 1.4330 1.3719 0.0266   1.3399 1.4631 0.0027
H6 0.7535 0.4316 1.4072   0.7072 0.5179 1.4021
H7 -0.5102 0.6888 -1.3934   -0.5379 0.6160 -1.4169
H8 -1.0040 1.6207 0.0308   -1.1080 1.5516 -0.0240
H9 -2.5518 -0.3390 -0.3267   -2.5203 -0.5143 -0.3423
H10 -1.1733 -1.4639 -0.2079   -1.0728 -1.5428 -0.1788
H11 -1.6759 -0.5158 1.2161   -1.6527 -0.5916 1.2134
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5204 2.5579 1.4213 1.1035 1.1049 2.1466 2.1224 3.5078 2.8380 2.8248
C2 1.5204 1.5338 2.4178 2.1848 2.1855 1.1037 1.1062 2.1838 2.1848 2.1860
C3 2.5579 1.5338 3.0107 3.5191 2.7977 2.1813 2.1782 1.1017 1.1009 1.1036
F4 1.4213 2.4178 3.0107 2.0331 2.0328 2.6609 3.3409 4.0038 2.7339 3.4107
H5 1.1035 2.1848 3.5191 2.0331 1.8034 2.5018 2.4496 4.3509 3.8587 3.8267
H6 1.1049 2.1855 2.7977 2.0328 1.8034 3.0833 2.5293 3.8112 3.1487 2.6146
H7 2.1466 1.1037 2.1813 2.6609 2.5018 3.0833 1.7722 2.5223 2.5455 3.1015
H8 2.1224 1.1062 2.1782 3.3409 2.4496 2.5293 1.7722 2.5227 3.0985 2.5340
H9 3.5078 2.1838 1.1017 4.0038 4.3509 3.8112 2.5223 2.5227 1.7832 1.7829
H10 2.8380 2.1848 1.1009 2.7339 3.8587 3.1487 2.5455 3.0985 1.7832 1.7831
H11 2.8248 2.1860 1.1036 3.4107 3.8267 2.6146 3.1015 2.5340 1.7829 1.7831
Maximum atom distance is 4.3509Å 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 113.752 C2 C1 F4 110.507
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.736 C1 C2 H8 106.746
C2 C1 H5 111.761 C2 C1 H6 111.731
C2 C3 H9 110.847 C2 C3 H10 110.982
C2 C3 H11 110.913 C3 C2 H7 110.531
C3 C2 H8 110.140 F4 C1 H5 106.595
F4 C1 H6 106.496 H5 C1 H6 109.490
H7 C2 H8 106.628 H9 C3 H10 108.111
H9 C3 H11 107.894 H10 C3 H11 107.968

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