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

• ChemBase ID: 798537
• Molecular Formular: C8H15F6N2P
• Molecular Mass: 284.1822802
• Monoisotopic Mass: 284.08770444
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1
• InChIKey: IXQYBUDWDLYNMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-butyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: C4mim hexafluorophosphate
• Synonyms: 1-butyl-3-methylimidazolium hexafluorophosphate

Database IDs

• CAS Number: 174501-64-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• Molar Refractivity: 42.7263 cm^3
• Polarizability: 16.442808 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%