[(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide

• ChemBase ID: 85328
• Molecular Formular: C23H22Br2IP
• Molecular Mass: 616.107011
• Monoisotopic Mass: 613.88705933
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC1C(C1C)(Br)Br.[I-]
• Canonical SMILES: CC1C(C1(Br)Br)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C23H22Br2P.HI/c1-18-22(23(18,24)25)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,22H,17H2,1H3;1H/q+1;/p-1
• InChIKey: IUKBQBKSHDZHGA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide
• IUPAC Traditional name: [(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide
• Synonyms: [(2,2-dibromo-3-methylcyclopropyl)methyl](triphenyl)phosphonium iodide

Database IDs

• MDL Number: MFCD01571056
• PubChem SID: 162072444
• PubChem CID: 2795288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.692365
• LogD (pH = 7.4): 6.692365
• Log P: 6.692365
• Molar Refractivity: 119.2296 cm^3
• Polarizability: 46.160793 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false