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
   -0.7810   -1.4093   -0.8416 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695   -0.2893   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149    0.2702    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5789    1.3817    1.1721 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9367   -0.2590    0.2588 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.2927    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6988   -0.2580   -0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9431    0.2479   -0.2673 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6029   -1.3904   -1.1815 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8023    1.4135    0.8412 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