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Geometry for CH2CHCH2F (Allyl Fluoride) 1A' CS cis

1910171554
InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2 INChIKey=QCMKXHXKNIOBBC-UHFFFAOYSA-N

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9371 -0.2211 0.0000   -0.7157 -0.6441 0.0000
C2 0.0000 0.9454 0.0000   0.7769 -0.5386 0.0000
C3 1.3128 0.8601 0.0000   1.4548 0.5888 0.0000
F4 -0.2635 -1.4070 0.0000   -1.3064 0.5851 0.0000
H5 1.9270 1.7427 0.0000   2.5301 0.5907 0.0000
H6 1.8172 -0.0884 0.0000   0.9627 1.5437 0.0000
H7 -0.4843 1.9097 0.0000   1.2935 -1.4860 0.0000
H8 -1.5712 -0.2035 0.8789   -1.0624 -1.1753 0.8789
H9 -1.5712 -0.2035 -0.8789   -1.0624 -1.1753 -0.8789
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4963 2.4962 1.3638 3.4727 2.7575 2.1784 1.0839 1.0839
C2 1.4963 1.3155 2.3670 2.0854 2.0906 1.0791 2.1357 2.1357
C3 2.4962 1.3155 2.7612 1.0753 1.0743 2.0811 3.1970 3.1970
F4 1.3638 2.3670 2.7612 3.8365 2.4632 3.3240 1.9827 1.9827
H5 3.4727 2.0854 1.0753 3.8365 1.8344 2.4170 4.0985 4.0985
H6 2.7575 2.0906 1.0743 2.4632 1.8344 3.0478 3.5024 3.5024
H7 2.1784 1.0791 2.0811 3.3240 2.4170 3.0478 2.5337 2.5337
H8 1.0839 2.1357 3.1970 1.9827 4.0985 3.5024 2.5337 1.7578
H9 1.0839 2.1357 3.1970 1.9827 4.0985 3.5024 2.5337 1.7578
Maximum atom distance is 4.0985Å between atoms H5 and H8.
picture of Allyl Fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 125.061 C2 C1 F4 111.623
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.558 C2 C1 H8 110.712
C2 C1 H9 110.712 C2 C3 H5 121.119
C2 C3 H6 121.719 C3 C2 H7 120.382
F4 C1 H8 107.646 F4 C1 H9 107.646
H5 C3 H6 117.162

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