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

• ChemBase ID: 798598
• Molecular Formular: C14H27F6N2P
• Molecular Mass: 368.3417602
• Monoisotopic Mass: 368.18160482
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C14H27N2.F6P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-7(2,3,4,5)6/h12-14H,3-11H2,1-2H3;/q+1;-1
• InChIKey: OXZSRXCEZNETER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 362043-46-7

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.52143455
• LogD (pH = 7.4): 0.52143455
• Log P: 0.52143455
• Molar Refractivity: 70.3323 cm^3
• Polarizability: 27.515057 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%