4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol

• ChemBase ID: 93462
• Molecular Formular: C10H7F15O
• Molecular Mass: 428.138028
• Monoisotopic Mass: 428.02573814
• SMILES: OCCCC(C(F)(F)C(F)(F)C(C(F)(C(F)(F)C(F)(F)F)F)(F)F)(F)F
• Canonical SMILES: OCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H7F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2
• InChIKey: LWCLGUDCFDTQBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
• Synonyms: 1H,1H,2H,2H,3H,3H-Perfluorodecan-1-ol 97%

Database IDs

• CAS Number: 25600-66-2
• MDL Number: MFCD03788334
• PubChem SID: 162080147
• PubChem CID: 2783377

CALCULATED PROPERTIES

• Acid pKa: 15.963853
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.9889965
• LogD (pH = 7.4): 4.9889965
• Log P: 4.9889965
• Molar Refractivity: 51.3398 cm^3
• Polarizability: 19.66445 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-29°C
• Boiling Point: 106-107°C/9mm

Safety Information

• Storage Warning: Irritant