1-methyl-3-((perfluorophenyl)methyl)-1H-imidazol-3-ium | SBID = 2060 | Compound | Custom Molecule

Struc Structure

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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: C11H8F5N2+
M / g/mol: 263.186636
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 1-methyl-3-((perfluorophenyl)methyl)-1H-imidazol-3-ium
  • Preferred Abbreviation: 5FBMI
  • IUPAC Name:
  • CAS:
  • CID: -887
  • InChiKey: NTOMCLVIRIAIHN-UHFFFAOYSA-N
  • InChi: InChI=1S/C11H8F5N2/c1-17-2-3-18(5-17)4-6-7(12)9(14)11(16)10(15)8(6)13/h2-3,5H,4H2,1H3/q+1
  • CanoSmiles: 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=C2