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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

MP2/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7982 0.5149 0.2965   -0.8357 0.4673 0.2706
C2 -0.5935 0.6635 -0.2828   0.5505 0.6939 -0.2962
C3 -1.5152 -0.4868 0.1189   1.5431 -0.3772 0.1523
F4 1.3782 -0.6611 -0.1715   -1.3270 -0.7596 -0.1674
H5 1.4458 1.3456 0.0018   -1.5346 1.2421 -0.0578
H6 0.7624 0.4537 1.3893   -0.8114 0.4420 1.3651
H7 -0.5113 0.7196 -1.3733   0.4802 0.7111 -1.3889
H8 -1.0018 1.6210 0.0622   0.8872 1.6874 0.0235
H9 -2.5073 -0.3720 -0.3250   2.5313 -0.2078 -0.2829
H10 -1.0971 -1.4395 -0.2129   1.1962 -1.3661 -0.1545
H11 -1.6315 -0.5274 1.2066   1.6466 -0.3767 1.2422
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5147 2.5271 1.3923 1.0938 1.0951 2.1319 2.1256 3.4783 2.7696 2.7961
C2 1.5147 1.5277 2.3779 2.1691 2.1629 1.0951 1.0966 2.1764 2.1635 2.1712
C3 2.5271 1.5277 2.9131 3.4841 2.7723 2.1656 2.1702 1.0929 1.0920 1.0947
F4 1.3923 2.3779 2.9131 2.0154 2.0145 2.6307 3.3056 3.8992 2.5951 3.3129
H5 1.0938 2.1691 3.4841 2.0154 1.7854 2.4725 2.4637 4.3225 3.7775 3.7987
H6 1.0951 2.1629 2.7723 2.0145 1.7854 3.0537 2.4972 3.7830 3.0998 2.5936
H7 2.1319 1.0951 2.1656 2.6307 2.4725 3.0537 1.7646 2.5049 2.5202 3.0767
H8 2.1256 1.0966 2.1702 3.3056 2.4637 2.4972 1.7646 2.5275 3.0743 2.5144
H9 3.4783 2.1764 1.0929 3.8992 4.3225 3.7830 2.5049 2.5275 1.7722 1.7712
H10 2.7696 2.1635 1.0920 2.5951 3.7775 3.0998 2.5202 3.0743 1.7722 1.7699
H11 2.7961 2.1712 1.0947 3.3129 3.7987 2.5936 3.0767 2.5144 1.7712 1.7699
Maximum atom distance is 4.3225Å 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 112.327 C2 C1 F4 109.697
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.477 C1 C2 H8 107.904
C2 C1 H5 111.496 C2 C1 H6 110.923
C2 C3 H9 111.210 C2 C3 H10 110.244
C2 C3 H11 110.690 C3 C2 H7 110.223
C3 C2 H8 110.495 F4 C1 H5 107.715
F4 C1 H6 107.569 H5 C1 H6 109.308
H7 C2 H8 107.246 H9 C3 H10 108.410
H9 C3 H11 108.116 H10 C3 H11 108.070

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