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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

HSEh1PBE/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7866 0.5465 0.2953   -0.8325 0.4883 0.2702
C2 -0.6046 0.6616 -0.2862   0.5527 0.7007 -0.2982
C3 -1.5095 -0.4986 0.1225   1.5432 -0.3698 0.1544
F4 1.3926 -0.6735 -0.1669   -1.3306 -0.7896 -0.1635
H5 1.4350 1.3688 -0.0213   -1.5414 1.2456 -0.0774
H6 0.7648 0.4984 1.3892   -0.8221 0.4727 1.3652
H7 -0.5255 0.7095 -1.3793   0.4851 0.7114 -1.3931
H8 -1.0329 1.6189 0.0411   0.8970 1.6985 0.0063
H9 -2.4949 -0.4179 -0.3463   2.5252 -0.2218 -0.3052
H10 -1.0611 -1.4491 -0.1801   1.1780 -1.3619 -0.1258
H11 -1.6535 -0.5242 1.2093   1.6738 -0.3533 1.2430
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5123 2.5286 1.4385 1.0940 1.0951 2.1336 2.1273 3.4799 2.7608 2.8170
C2 1.5123 1.5270 2.4054 2.1750 2.1700 1.0970 1.0986 2.1776 2.1621 2.1778
C3 2.5286 1.5270 2.9217 3.4897 2.7876 2.1641 2.1720 1.0943 1.0937 1.0965
F4 1.4385 2.4054 2.9217 2.0479 2.0467 2.6574 3.3439 3.9000 2.5734 3.3459
H5 1.0940 2.1750 3.4897 2.0479 1.7877 2.4744 2.4814 4.3292 3.7678 3.8258
H6 1.0951 2.1700 2.7876 2.0467 1.7877 3.0617 2.5109 3.8049 3.0966 2.6318
H7 2.1336 1.0970 2.1641 2.6574 2.4744 3.0617 1.7613 2.4933 2.5268 3.0814
H8 2.1273 1.0986 2.1720 3.3439 2.4814 2.5109 1.7613 2.5369 3.0761 2.5185
H9 3.4799 2.1776 1.0943 3.9000 4.3292 3.8049 2.4933 2.5369 1.7740 1.7717
H10 2.7608 2.1621 1.0937 2.5734 3.7678 3.0966 2.5268 3.0761 1.7740 1.7710
H11 2.8170 2.1778 1.0965 3.3459 3.8258 2.6318 3.0814 2.5185 1.7717 1.7710
Maximum atom distance is 4.3292Å 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 112.601 C2 C1 F4 109.184
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.670 C1 C2 H8 108.084
C2 C1 H5 112.135 C2 C1 H6 111.663
C2 C3 H9 111.278 C2 C3 H10 110.079
C2 C3 H11 111.157 C3 C2 H7 110.037
C3 C2 H8 110.563 F4 C1 H5 107.143
F4 C1 H6 106.983 H5 C1 H6 109.499
H7 C2 H8 106.683 H9 C3 H10 108.347
H9 C3 H11 107.942 H10 C3 H11 107.921

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