6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol

• ChemBase ID: 99138
• Molecular Formular: C11H10F13IO
• Molecular Mass: 532.0802116
• Monoisotopic Mass: 531.9568798
• SMILES: OCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)I
• Canonical SMILES: OCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
• InChIKey: FPLJNGUIASXYLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
• IUPAC Traditional name: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
• Synonyms: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-4-iodoundecan-1-ol; 4-Iodo-5-(perfluorohexyl)pentan-1-ol 95%

Database IDs

• CAS Number: 132665-00-0
• PubChem SID: 162085431
• PubChem CID: 10875133

CALCULATED PROPERTIES

• Acid pKa: 15.973019
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.02361
• LogD (pH = 7.4): 6.02361
• Log P: 6.02361
• Molar Refractivity: 68.3081 cm^3
• Polarizability: 26.590887 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant