chlorobis(trifluoromethyl)phosphane

• ChemBase ID: 94729
• Molecular Formular: C2ClF6P
• Molecular Mass: 204.4385802
• Monoisotopic Mass: 203.93303363
• SMILES: P(C(F)(F)F)(Cl)C(F)(F)F
• Canonical SMILES: ClP(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C2ClF6P/c3-10(1(4,5)6)2(7,8)9
• InChIKey: SLPNGGHOLGPULH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(trifluoromethyl)phosphane
• IUPAC Traditional name: chlorobis(trifluoromethyl)phosphane
• Synonyms: Bis(trifluoromethyl)chlorophosphine 97%

Database IDs

• CAS Number: 650-52-2
• MDL Number: MFCD04116428
• PubChem SID: 162081383
• PubChem CID: 136463

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2661
• LogD (pH = 7.4): 4.2661
• Log P: 4.2661
• Molar Refractivity: 22.8877 cm^3
• Polarizability: 9.230665 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Flammable