[(4-fluorophenyl)methyl](methyl)diphenylphosphanium chloride

• ChemBase ID: 96494
• Molecular Formular: C20H19ClFP
• Molecular Mass: 344.7900242
• Monoisotopic Mass: 344.08969314
• SMILES: [P+](c1ccccc1)(c1ccccc1)(Cc1ccc(cc1)F)C.[Cl-]
• Canonical SMILES: Fc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)C.[Cl-]
• InChI: InChI=1S/C20H19FP.ClH/c1-22(19-8-4-2-5-9-19,20-10-6-3-7-11-20)16-17-12-14-18(21)15-13-17;/h2-15H,16H2,1H3;1H/q+1;/p-1
• InChIKey: QJGLFQHHWVWCHA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](methyl)diphenylphosphanium chloride
• IUPAC Traditional name: [(4-fluorophenyl)methyl](methyl)diphenylphosphanium chloride
• Synonyms: (4-fluorobenzyl)(methyl)diphenylphosphonium chloride

Database IDs

• MDL Number: MFCD00221008
• PubChem SID: 162083143
• PubChem CID: 2781603

CALCULATED PROPERTIES

• Acid pKa: 17.630646
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1483417
• LogD (pH = 7.4): 5.1483417
• Log P: 5.1483417
• Molar Refractivity: 92.125 cm^3
• Polarizability: 35.865204 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false