3-ethyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 798521
• Molecular Formular: C6H11F6N2P
• Molecular Mass: 256.1291202
• Monoisotopic Mass: 256.05640431
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[n+]1ccn(c1)C
• InChI: InChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: DPDAKOVGQUGTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium hexafluorophosphate
• Synonyms: 1-ethyl-3-methylimidazolium hexafluorophosphate

Database IDs

• CAS Number: 155371-19-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.755673 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%