triethyl(2,2,2-trifluoroethyl)azanium trifluoromethanesulfonate

• ChemBase ID: 8217
• Molecular Formular: C9H17F6NO3S
• Molecular Mass: 333.2915992
• Monoisotopic Mass: 333.08333373
• SMILES: [N+](CC(F)(F)F)(CC)(CC)CC.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.CC[N+](CC(F)(F)F)(CC)CC
• InChI: InChI=1S/C8H17F3N.CHF3O3S/c1-4-12(5-2,6-3)7-8(9,10)11;2-1(3,4)8(5,6)7/h4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
• InChIKey: VDBVQAPVHZQGQS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triethyl(2,2,2-trifluoroethyl)azanium trifluoromethanesulfonate
• IUPAC Traditional name: triethyl(2,2,2-trifluoroethyl)azanium triflate
• Synonyms: 2,2,2-Trifluoroethyl triethylammonium trifluoromethanesulphonate; 2,2,2-Trifluoroethyl triethylammonium triflate

Database IDs

• CAS Number: 380230-73-9
• MDL Number: MFCD02093347
• PubChem SID: 160971524
• PubChem CID: 2777148

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.946647
• LogD (pH = 7.4): -1.946647
• Log P: -1.946647
• Molar Refractivity: 55.5976 cm^3
• Polarizability: 16.229744 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive
• TSCA Listed: false