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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

wB97X-D/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8019 0.5107 0.2943   0.7613 0.5721 0.2891
C2 -0.5936 0.6611 -0.2804   -0.6343 0.6112 -0.3034
C3 -1.5220 -0.4842 0.1183   -1.4864 -0.5850 0.1154
F4 1.3836 -0.6598 -0.1711   1.4276 -0.5669 -0.1400
H5 1.4463 1.3476 0.0011   1.3501 1.4438 -0.0192
H6 0.7705 0.4565 1.3900   0.7207 0.5434 1.3854
H7 -0.5168 0.7231 -1.3722   -0.5489 0.6510 -1.3956
H8 -1.0002 1.6203 0.0650   -1.1099 1.5485 0.0128
H9 -2.5138 -0.3610 -0.3268   -2.4790 -0.5418 -0.3428
H10 -1.1127 -1.4411 -0.2172   -1.0084 -1.5194 -0.1910
H11 -1.6433 -0.5322 1.2067   -1.6170 -0.6138 1.2034
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5167 2.5340 1.3875 1.0962 1.0975 2.1357 2.1287 3.4842 2.7815 2.8105
C2 1.5167 1.5272 2.3804 2.1707 2.1663 1.0963 1.0976 2.1758 2.1662 2.1765
C3 2.5340 1.5272 2.9252 3.4900 2.7852 2.1656 2.1689 1.0941 1.0934 1.0961
F4 1.3875 2.3804 2.9252 2.0158 2.0148 2.6394 3.3071 3.9120 2.6161 3.3281
H5 1.0962 2.1707 3.4900 2.0158 1.7832 2.4758 2.4625 4.3255 3.7911 3.8122
H6 1.0975 2.1663 2.7852 2.0148 1.7832 3.0591 2.4991 3.7951 3.1193 2.6148
H7 2.1357 1.0963 2.1656 2.6394 2.4758 3.0591 1.7618 2.5013 2.5245 3.0815
H8 2.1287 1.0976 2.1689 3.3071 2.4625 2.4991 1.7618 2.5239 3.0764 2.5199
H9 3.4842 2.1758 1.0941 3.9120 4.3255 3.7951 2.5013 2.5239 1.7725 1.7717
H10 2.7815 2.1662 1.0934 2.6161 3.7911 3.1193 2.5245 3.0764 1.7725 1.7706
H11 2.8105 2.1765 1.0961 3.3281 3.8122 2.6148 3.0815 2.5199 1.7717 1.7706
Maximum atom distance is 4.3255Å 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 112.707 C2 C1 F4 110.014
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.571 C1 C2 H8 107.952
C2 C1 H5 111.336 C2 C1 H6 110.909
C2 C3 H9 111.124 C2 C3 H10 110.402
C2 C3 H11 111.058 C3 C2 H7 110.188
C3 C2 H8 110.369 F4 C1 H5 107.931
F4 C1 H6 107.772 H5 C1 H6 108.760
H7 C2 H8 106.851 H9 C3 H10 108.241
H9 C3 H11 107.972 H10 C3 H11 107.924

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