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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

B2PLYP/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8019 0.5199 0.2920   0.7597 0.5824 0.2867
C2 -0.5950 0.6662 -0.2789   -0.6371 0.6153 -0.3018
C3 -1.5140 -0.4878 0.1193   -1.4771 -0.5906 0.1165
F4 1.3745 -0.6678 -0.1698   1.4201 -0.5729 -0.1388
H5 1.4512 1.3461 -0.0143   1.3528 1.4446 -0.0341
H6 0.7803 0.4750 1.3864   0.7285 0.5632 1.3816
H7 -0.5187 0.7271 -1.3697   -0.5524 0.6545 -1.3930
H8 -1.0058 1.6230 0.0649   -1.1183 1.5489 0.0133
H9 -2.5047 -0.3775 -0.3286   -2.4678 -0.5617 -0.3441
H10 -1.0920 -1.4391 -0.2113   -0.9853 -1.5175 -0.1854
H11 -1.6388 -0.5339 1.2060   -1.6113 -0.6184 1.2026
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5161 2.5315 1.3971 1.0946 1.0956 2.1327 2.1298 3.4819 2.7708 2.8112
C2 1.5161 1.5280 2.3812 2.1723 2.1683 1.0952 1.0966 2.1769 2.1641 2.1759
C3 2.5315 1.5280 2.9085 3.4890 2.7922 2.1643 2.1718 1.0929 1.0919 1.0947
F4 1.3971 2.3812 2.9085 2.0214 2.0201 2.6401 3.3119 3.8933 2.5846 3.3153
H5 1.0946 2.1723 3.4890 2.0214 1.7807 2.4700 2.4737 4.3265 3.7767 3.8173
H6 1.0956 2.1683 2.7922 2.0201 1.7807 3.0574 2.5009 3.8026 3.1180 2.6273
H7 2.1327 1.0952 2.1643 2.6401 2.4700 3.0574 1.7601 2.4996 2.5225 3.0788
H8 2.1298 1.0966 2.1718 3.3119 2.4737 2.5009 1.7601 2.5306 3.0757 2.5209
H9 3.4819 2.1769 1.0929 3.8933 4.3265 3.8026 2.4996 2.5306 1.7710 1.7690
H10 2.7708 2.1641 1.0919 2.5846 3.7767 3.1180 2.5225 3.0757 1.7710 1.7683
H11 2.8112 2.1759 1.0947 3.3153 3.8173 2.6273 3.0788 2.5209 1.7690 1.7683
Maximum atom distance is 4.3265Å 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 112.527 C2 C1 F4 109.587
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.441 C1 C2 H8 108.137
C2 C1 H5 111.612 C2 C1 H6 111.225
C2 C3 H9 111.231 C2 C3 H10 110.279
C2 C3 H11 111.040 C3 C2 H7 110.090
C3 C2 H8 110.607 F4 C1 H5 107.822
F4 C1 H6 107.663 H5 C1 H6 108.793
H7 C2 H8 106.843 H9 C3 H10 108.312
H9 C3 H11 107.921 H10 C3 H11 107.940

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