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
   -0.6487    0.9449   -1.4733 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6305    0.2645   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740    0.0825    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -0.5851    1.4908 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9057    0.5611   -0.2128 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -0.2468    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800   -0.0947   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044   -0.5841    0.2531 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350    0.5655   -1.4921 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339   -0.9077    1.4388 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