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

• ChemBase ID: 100104
• Molecular Formular: C11H4F19IO
• Molecular Mass: 640.0229908
• Monoisotopic Mass: 639.90034893
• SMILES: ICCC(C(C(F)(F)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: ICCC(C(C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H4F19IO/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)11(29,30)32-8(22,9(23,24)25)10(26,27)28/h1-2H2
• InChIKey: GGAZEYOGKLDXNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane
• Synonyms: 8-(Heptafluoroisopropoxy)-1-iodo-1H,1H,2H,2H-perfluorooctane; 1H,1H,2H,2H-Perfluoro(10,10-dimethyl-1-iodo-9-oxa)decane

Database IDs

• CAS Number: 25080-25-5
• PubChem SID: 162086262
• PubChem CID: 45075723

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.567074
• LogD (pH = 7.4): 8.567074
• Log P: 8.567074
• Molar Refractivity: 69.6017 cm^3
• Polarizability: 27.478775 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant