3-decyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 798333
• Molecular Formular: C15H29F6N2P
• Molecular Mass: 382.3683402
• Monoisotopic Mass: 382.19725489
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(c(n(cc1)C)C)CCCCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCC[n+]1ccn(c1C)C
• InChI: InChI=1S/C15H29N2.F6P/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;1-7(2,3,4,5)6/h13-14H,4-12H2,1-3H3;/q+1;-1
• InChIKey: YIQICEMUGZCEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-decyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 1-decyl-2,3-dimethylimidazol-1-ium hexafluorophosphate
• Synonyms: 1-decyl-2,3-dimethylimidazolium hexafluorophosphate

Database IDs

• CAS Number: 640282-16-2

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.16059573
• LogD (pH = 7.4): 0.16059573
• Log P: 0.16059573
• Molar Refractivity: 85.5387 cm^3
• Polarizability: 29.2806 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%