1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane

• ChemBase ID: 98568
• Molecular Formular: C11F23IO
• Molecular Mass: 711.9848436
• Monoisotopic Mass: 711.86266168
• SMILES: IC(F)(F)C(F)(F)C(F)(F)C(C(C(C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F
• InChI: InChI=1S/C11F23IO/c12-1(13,3(16,17)5(20,21)10(31,32)35)2(14,15)4(18,19)6(22,23)11(33,34)36-7(24,8(25,26)27)9(28,29)30
• InChIKey: DQVDKUNLKZLJJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane
• Synonyms: 8-(Heptafluoroisopropoxy)-1-iodoperfluorooctane; Perfluoro(10,10-dimethyl-1-iodo-9-oxadecane)

Database IDs

• CAS Number: 25080-19-7
• PubChem SID: 162084972
• PubChem CID: 13794503

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.879
• LogD (pH = 7.4): 9.879
• Log P: 9.879
• Molar Refractivity: 70.6672 cm^3
• Polarizability: 28.206957 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant