3-(3,5-difluorobenzyl)-1-vinyl-1H-imidazol-3-ium | SBID = 2094 | 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: C12H11F2N2+
M / g/mol: 221.2259464
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 3-(3,5-difluorobenzyl)-1-vinyl-1H-imidazol-3-ium
  • Preferred Abbreviation: 2FBVI
  • IUPAC Name:
  • CAS:
  • CID: -916
  • InChiKey: KRUDLUOPEABMHU-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H11F2N2/c1-2-15-3-4-16(9-15)8-10-5-11(13)7-12(14)6-10/h2-7,9H,1,8H2/q+1
  • CanoSmiles: C=Cn1cc[n+](c1)Cc1cc(F)cc(c1)F
  • IsoSmiles: FC1=CC(C[N+]2=CN(C=C)C=C2)=CC(F)=C1