4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-ol

• ChemBase ID: 9344
• Molecular Formular: C11H7F17O
• Molecular Mass: 478.1455344
• Monoisotopic Mass: 478.02254458
• SMILES: C(C(C(C(C(C(CCCO)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H7F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h29H,1-3H2
• InChIKey: FQTWAKFTSLUFFS-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-heptadecafluoroundecan-1-ol
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-ol
• Synonyms: 3-(Perfluorooctyl)propanol; 1H,1H,2H,2H,3H,3H-Perfluoroundecan-1-ol; 3-(Perfluorooct-1-yl)propan-1-ol

Database IDs

• CAS Number: 1651-41-8
• MDL Number: MFCD00236071
• PubChem SID: 160972651
• PubChem CID: 2776329

CALCULATED PROPERTIES

• Acid pKa: 15.963853
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.689639
• LogD (pH = 7.4): 5.689639
• Log P: 5.689639
• Molar Refractivity: 56.0078 cm^3
• Polarizability: 21.570951 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 106-108°C/10mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false