triphenyl(3,3,3-trifluoropropyl)phosphanium iodide

• ChemBase ID: 99258
• Molecular Formular: C21H19F3IP
• Molecular Mass: 486.2490006
• Monoisotopic Mass: 486.0221199
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC(F)(F)F.[I-]
• Canonical SMILES: FC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F.[I-]
• InChI: InChI=1S/C21H19F3P.HI/c22-21(23,24)16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1
• InChIKey: OILVALOYRFDGPW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(3,3,3-trifluoropropyl)phosphanium iodide
• IUPAC Traditional name: triphenyl(3,3,3-trifluoropropyl)phosphanium iodide
• Synonyms: Trisphenyl(3,3,3-trifluoroprop-1-yl)phosphonium iodide

Database IDs

• CAS Number: 128622-15-1
• PubChem SID: 162085542
• PubChem CID: 19694095

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.932398
• LogD (pH = 7.4): 5.932398
• Log P: 5.932398
• Molar Refractivity: 97.1231 cm^3
• Polarizability: 37.064064 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive/Irritant