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
    0.3431   -1.0304    1.4836 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615   -0.3220    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -0.1841   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.5231   -1.2661 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400   -0.7554    0.4788 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5405    0.3000   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634    0.1852    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889   -0.5014    1.2525 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8157    0.7790   -0.5203 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169    1.0061   -1.4527 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