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
0.1026 -1.0506 -1.4354 F 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -0.2772 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 -0.0872 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1748 0.7068 0.8215 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7142 -0.6476 -1.0554 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.5042 0.3086 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7766 0.0637 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1388 -0.7293 -0.8543 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.6996 0.6110 1.0045 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.1804 1.1017 1.5099 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