bromotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ6-phosphane

• ChemBase ID: 288309
• Molecular Formular: C12H24BrF6N3P2+
• Molecular Mass: 466.1810012
• Monoisotopic Mass: 465.05330236
• SMILES: FP(F)(F)(F)(F)F.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1
• Canonical SMILES: FP(F)(F)(F)(F)F.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1
• InChI: InChI=1S/C12H24BrN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1
• InChIKey: HKRACUNJHSUMLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ^6-phosphane
• IUPAC Traditional name: bromotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ^6-phosphane
• Synonyms: Bromotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)

Database IDs

• CAS Number: 132705-51-2
• MDL Number: MFCD00077412
• PubChem SID: 180673840
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2994652
• LogD (pH = 7.4): 0.2994652
• Log P: 0.2994652
• Molar Refractivity: 78.5536 cm^3
• Polarizability: 31.029436 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%