5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecan-1-ol

• ChemBase ID: 99875
• Molecular Formular: C10H9F13O
• Molecular Mass: 392.1571016
• Monoisotopic Mass: 392.04458177
• SMILES: OCCCCC(F)(C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)F
• Canonical SMILES: OCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H9F13O/c11-5(12,3-1-2-4-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2
• InChIKey: HJYIVOYQMVJCSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecan-1-ol
• IUPAC Traditional name: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecan-1-ol
• Synonyms: 1H,1H,2H,2H,3H,3H,4H,4H-Perfluorodecan-1-ol

Database IDs

• MDL Number: MFCD09864675
• PubChem SID: 162086122
• PubChem CID: 15415177

CALCULATED PROPERTIES

• Acid pKa: 16.843815
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7329226
• LogD (pH = 7.4): 4.7329226
• Log P: 4.7329226
• Molar Refractivity: 51.2728 cm^3
• Polarizability: 19.382446 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable