triethyl(2,2,3,3-tetrafluoropropyl)azanium trifluoromethanesulfonate

• ChemBase ID: 12139
• Molecular Formular: C10H18F7NO3S
• Molecular Mass: 365.3086424
• Monoisotopic Mass: 365.08956198
• SMILES: S(=O)(=O)([O-])C(F)(F)F.C([N+](CC)(CC)CC)C(C(F)F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.CC[N+](CC(C(F)F)(F)F)(CC)CC
• InChI: InChI=1S/C9H18F4N.CHF3O3S/c1-4-14(5-2,6-3)7-9(12,13)8(10)11;2-1(3,4)8(5,6)7/h8H,4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
• InChIKey: LBLGOBSMJLBDLB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triethyl(2,2,3,3-tetrafluoropropyl)azanium trifluoromethanesulfonate
• IUPAC Traditional name: triethyl(2,2,3,3-tetrafluoropropyl)azanium triflate
• Synonyms: 2,2,3,3-Tetrafluoropropyltriethylammonium triflate; 2,2,3,3-Tetrafluoropropyl triethylammonium triflate 97%

Database IDs

• MDL Number: MFCD04038359
• PubChem SID: 160975446
• PubChem CID: 6093612

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.7347648
• LogD (pH = 7.4): -1.7347648
• Log P: -1.7347648
• Molar Refractivity: 59.3759 cm^3
• Polarizability: 17.913404 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%