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
-0.6088 -0.1401 -1.6585 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 -0.0826 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 -0.1777 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8946 -0.3302 -0.4086 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.7681 -0.1207 1.6684 F 0 0 0 0 0 0 0 0 0 0 0 0
0.5900 0.0793 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7551 0.1780 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8451 0.1299 -1.4662 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8905 0.3295 0.5847 F 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 0.1347 1.8207 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