2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-ol

• ChemBase ID: 99366
• Molecular Formular: C6H4F10O
• Molecular Mass: 282.079392
• Monoisotopic Mass: 282.01024695
• SMILES: OCC(C(F)(C(C(F)(F)C(F)F)(F)F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H4F10O/c7-2(8)4(11,12)6(15,16)5(13,14)3(9,10)1-17/h2,17H,1H2
• InChIKey: DYJNIUWJUXNOOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-ol
• Synonyms: 1H,1H,6H-Decafluorohexan-1-ol

Database IDs

• MDL Number: MFCD01025150
• PubChem SID: 162085634
• PubChem CID: 2736748

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7503295
• LogD (pH = 7.4): 2.7503269
• Log P: 2.7503295
• Molar Refractivity: 31.4937 cm^3
• Polarizability: 12.49312 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant