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

• ChemBase ID: 798583
• Molecular Formular: C10H19F6N2P
• Molecular Mass: 312.2354402
• Monoisotopic Mass: 312.11900457
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1
• InChIKey: YPWSSSRXUOQNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 304680-35-1

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.2568401
• LogD (pH = 7.4): -1.2568401
• Log P: -1.2568401
• Molar Refractivity: 51.9283 cm^3
• Polarizability: 20.13241 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%