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
    0.4731    1.2238   -1.2731 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    0.2250   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403   -0.3684   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8879   -1.3679    0.7698 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8331    0.0438   -0.8067 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5858   -0.2008    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    0.3554    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    1.3555   -0.7671 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8512   -0.0685    0.8347 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642   -1.1979    1.2465 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