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
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
0.4960 -1.4679 -0.9258 F 0 0 0 0 0 0 0 0 0 0 0 0
0.6071 -0.3354 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8083 0.1273 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9655 1.2505 0.8912 F 0 0 0 0 0 0 0 0 0 0 0 0
2.9079 -0.5527 -0.2318 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.6054 0.3435 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7778 -0.1079 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9238 0.5233 0.2122 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.9486 -1.2479 -0.8889 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.5293 1.4672 0.9241 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