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

• ChemBase ID: 798557
• Molecular Formular: C18H35F6N2P
• Molecular Mass: 424.4480802
• Monoisotopic Mass: 424.24420508
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C18H35N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;1-7(2,3,4,5)6/h16-18H,3-15H2,1-2H3;/q+1;-1
• InChIKey: VYARLXKWHFGQBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 219947-94-1

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2997093
• LogD (pH = 7.4): 2.2997093
• Log P: 2.2997093
• Molar Refractivity: 88.7363 cm^3
• Polarizability: 34.899952 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%