(4-chlorophenyl)(heptafluoropropyl)iodanium; tetrafluoroboranuide

• ChemBase ID: 281721
• Molecular Formular: C9H4BClF11I
• Molecular Mass: 494.2789652
• Monoisotopic Mass: 493.89636663
• SMILES: C(C([I+]c1ccc(Cl)cc1)(F)F)(C(F)(F)F)(F)F.[B-](F)(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)([I+]c1ccc(cc1)Cl)F.F[B-](F)(F)F
• InChI: InChI=1S/C9H4ClF7I.BF4/c10-5-1-3-6(4-2-5)18-9(16,17)7(11,12)8(13,14)15;2-1(3,4)5/h1-4H;/q+1;-1
• InChIKey: BPROOZKEQYXGEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(heptafluoropropyl)iodanium; tetrafluoroboranuide
• IUPAC Traditional name: (4-chlorophenyl)(heptafluoropropyl)iodanium tetrafluoroborate
• Synonyms: (4-chlorophenyl)(1,1,2,2,3,3,3-heptafluoropropyl)iodanium; tetrafluoroboranuide

Database IDs

• MDL Number: MFCD14705924
• PubChem SID: 180667252
• PubChem CID: 47003474

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1883
• LogD (pH = 7.4): 5.1883
• Log P: 5.1883
• Molar Refractivity: 60.791 cm^3
• Polarizability: 25.431086 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.688

Product Information

• Purity: 95%