Triflate ion | SBID = 1824 | Compound | Custom Molecule

Struc Structure

Molecular Properties

Interactions: 5
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: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: CF3O3S-
M / g/mol: 149.0691096
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: Triflate ion
  • Preferred Abbreviation: Triflate
  • IUPAC Name:
  • CAS:
  • CID: -748
  • InChiKey: ITMCEJHCFYSIIV-UHFFFAOYSA-M
  • InChi: InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)/p-1
  • CanoSmiles: FC(S(=O)(=O)[O-])(F)F
  • IsoSmiles: [O-]S(=O)(C(F)(F)F)=O