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
    0.4058   -0.8020    1.5733 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.3077    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -0.3895   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    0.1130   -1.5320 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887   -0.9723    0.3636 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5709    0.3049   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407    0.3959    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679   -0.1146    1.5191 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7915    0.9694   -0.3553 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319    0.8028   -1.5575 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