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
    0.6079    1.6349   -0.4599 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136    0.3156   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965   -0.4065   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725   -1.7437   -0.0868 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549    0.2093   -0.7496 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095   -0.3030    0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7074    0.4114    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938    1.7307    0.0945 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323   -0.1982    0.7419 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024   -1.6506    0.4615 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