7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol

• ChemBase ID: 93165
• Molecular Formular: C14H13F17O
• Molecular Mass: 520.2252744
• Monoisotopic Mass: 520.06949478
• SMILES: FC(C(C(C(C(C(C(C(CCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCC(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/C14H13F17O/c15-7(16,5-3-1-2-4-6-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h32H,1-6H2
• InChIKey: LNZANUNVXAAVRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
• IUPAC Traditional name: 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
• Synonyms: 6-(Perfluorooctyl)hexanol

Database IDs

• CAS Number: 129794-54-3
• MDL Number: MFCD00236073
• PubChem SID: 162079850
• PubChem CID: 2776305

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.023345
• LogD (pH = 7.4): 7.023345
• Log P: 7.023345
• Molar Refractivity: 69.8108 cm^3
• Polarizability: 26.43103 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable