6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecan-1-ol

• ChemBase ID: 99132
• Molecular Formular: C11H11F13O
• Molecular Mass: 406.1836816
• Monoisotopic Mass: 406.06023183
• SMILES: OCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: OCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H11F13O/c12-6(13,4-2-1-3-5-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,1-5H2
• InChIKey: SMQWZVBJTNTJHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecan-1-ol
• IUPAC Traditional name: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecan-1-ol
• Synonyms: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecan-1-ol; 5-(Perfluorohexyl)pentan-1-ol

Database IDs

• CAS Number: 134052-02-1
• PubChem SID: 162085426
• PubChem CID: 10905574

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.177491
• LogD (pH = 7.4): 5.177491
• Log P: 5.177491
• Molar Refractivity: 55.8738 cm^3
• Polarizability: 21.021793 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant