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
   -0.5227    1.5436    0.8152 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.4357    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938    0.1436   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798    0.9212   -0.4808 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459   -0.9723   -1.3267 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -0.4299   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6837   -0.1436    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104    0.9719    1.3520 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7616   -0.9273    0.4695 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135   -1.5429   -0.8185 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