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

• ChemBase ID: 798556
• Molecular Formular: C16H31F6N2P
• Molecular Mass: 396.3949202
• Monoisotopic Mass: 396.21290495
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C16H31N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-7(2,3,4,5)6/h14-16H,3-13H2,1-2H3;/q+1;-1
• InChIKey: MPHALGYBTKGJEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 219947-93-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4105719
• LogD (pH = 7.4): 1.4105719
• Log P: 1.4105719
• Molar Refractivity: 79.5343 cm^3
• Polarizability: 31.20732 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%