2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol

• ChemBase ID: 7718
• Molecular Formular: C8H4F14O
• Molecular Mass: 382.0944048
• Monoisotopic Mass: 382.00385983
• SMILES: C(CO)(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2
• InChIKey: ISIIJJQHILZBPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
• Synonyms: 1H,1H,8H-Perfluorooctan-1-ol; 1H,1H,8H-Perfluoro-1-octanol

Database IDs

• CAS Number: 10331-08-5
• MDL Number: MFCD01631687
• PubChem SID: 160971025
• PubChem CID: 2776291

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.151615
• LogD (pH = 7.4): 4.1516123
• Log P: 4.151615
• Molar Refractivity: 40.8297 cm^3
• Polarizability: 16.317743 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