5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol

• ChemBase ID: 15275
• Molecular Formular: C8H9F9O
• Molecular Mass: 292.1420888
• Monoisotopic Mass: 292.05096889
• SMILES: C(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
• Canonical SMILES: OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
• InChIKey: FROXCSGRCWYTIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol
• IUPAC Traditional name: 5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol
• Synonyms: 5,5,6,6,7,7,8,8,8-Nonafluorooctan-1-ol

Database IDs

• CAS Number: 3792-02-7
• MDL Number: MFCD06248594
• PubChem SID: 160978582
• PubChem CID: 2769661

CALCULATED PROPERTIES

• Acid pKa: 16.843815
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.331637
• LogD (pH = 7.4): 3.331637
• Log P: 3.331637
• Molar Refractivity: 41.9368 cm^3
• Polarizability: 15.617108 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%