(heptadecafluorooctyl)(phenyl)iodanium trifluoromethanesulfonate

• ChemBase ID: 8842
• Molecular Formular: C15H5F20IO3S
• Molecular Mass: 772.135934
• Monoisotopic Mass: 771.86847742
• SMILES: c1cccc(c1)[I+]C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C([I+]c1ccccc1)(F)F)F.[O-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C14H5F17I.CHF3O3S/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)32-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
• InChIKey: LQSJCHNACSIGQK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (heptadecafluorooctyl)(phenyl)iodanium trifluoromethanesulfonate
• IUPAC Traditional name: (heptadecafluorooctyl)(phenyl)iodanium triflate
• Synonyms: (Perfluoro-n-octyl)phenyliodonium trifluoromethanesulfonate

Database IDs

• CAS Number: 77758-89-5
• MDL Number: MFCD00135120
• PubChem SID: 160972149
• PubChem CID: 2760324

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.839081
• LogD (pH = 7.4): 8.839081
• Log P: 8.839081
• Molar Refractivity: 79.1932 cm^3
• Polarizability: 32.512547 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: false