Monomers

Hexafluoro-1,3-butadiene

Identifiers

IUPAC name
1,1,2,3,4,4-hexafluorobuta-1,3-diene
InchI
InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
InchI Key
LGPPATCNSOSOQH-UHFFFAOYSA-N
SMILES
FC(=C(F)F)C(=C(F)F)F
Canonical SMILES
C(=C(F)F)(C(=C(F)F)F)F
Isomeric SMILES
C(=C(F)F)(C(=C(F)F)F)F
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4F6
Heavy Atom Count
10
Molecular Weight
162.032
Exact Molecular Weight
161.9904
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
3.1416
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.4097    1.3487   -1.1616 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4810    0.1368   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3722   -0.7600   -0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296   -1.9638   -0.3132 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.4227   -1.9426 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649   -0.1335    0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557    0.7441    0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1879    0.4120    1.9337 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918    1.9719    0.3702 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952   -1.3336    1.1387 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  3  5  1  0
  2  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  6 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers