4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol

• ChemBase ID: 95574
• Molecular Formular: C11H4F17IO
• Molecular Mass: 602.0261844
• Monoisotopic Mass: 601.90354249
• SMILES: OC/C(=C/C(F)(C(F)(F)C(C(F)(F)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)F)/I
• Canonical SMILES: OC/C(=C/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)/I
• InChI: InChI=1S/C11H4F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1,30H,2H2
• InChIKey: SXRMLCYYQWTVLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundec-2-en-1-ol
• Synonyms: 2-Iodo-1H,1H,3H-perfluoroundec-2-ene-1-ol

Database IDs

• MDL Number: MFCD08059531
• PubChem SID: 162082223
• PubChem CID: 44717399

CALCULATED PROPERTIES

• Acid pKa: 14.078286
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.429897
• LogD (pH = 7.4): 6.429897
• Log P: 6.429897
• Molar Refractivity: 69.9799 cm^3
• Polarizability: 26.883389 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable