3-((perfluorophenyl)methyl)-1-vinyl-1H-imidazol-3-ium | SBID = 2053 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H8F5N2+
M / g/mol: 275.197336
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 3-((perfluorophenyl)methyl)-1-vinyl-1H-imidazol-3-ium
  • Preferred Abbreviation: 5FBVI
  • IUPAC Name:
  • CAS:
  • CID: -884
  • InChiKey: HRFLFCSRVPWSQM-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H8F5N2/c1-2-18-3-4-19(6-18)5-7-8(13)10(15)12(17)11(16)9(7)14/h2-4,6H,1,5H2/q+1
  • CanoSmiles: C=Cn1cc[n+](c1)Cc1c(F)c(F)c(c(c1F)F)F
  • IsoSmiles: FC1=C(F)C(F)=C(F)C(F)=C1C[N+]2=CN(C=C)C=C2