2-(2-chloro-6-fluorophenyl)ethan-1-ol

• ChemBase ID: 180150
• Molecular Formular: C8H8ClFO
• Molecular Mass: 174.5999232
• Monoisotopic Mass: 174.02477078
• SMILES: c1(c(Cl)cccc1F)CCO
• Canonical SMILES: OCCc1c(F)cccc1Cl
• InChI: InChI=1S/C8H8ClFO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2
• InChIKey: UYZAUXBNFFFZFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-6-fluorophenyl)ethan-1-ol
• IUPAC Traditional name: 2-(2-chloro-6-fluorophenyl)ethanol
• Synonyms: 2-(2-Chloro-6-fluorophenyl)ethan-1-ol

Database IDs

• CAS Number: 214262-86-9
• PubChem SID: 164236060
• PubChem CID: 2733235

CALCULATED PROPERTIES

• Acid pKa: 15.660935
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.241304
• LogD (pH = 7.4): 2.241304
• Log P: 2.241304
• Molar Refractivity: 42.6501 cm^3
• Polarizability: 16.152664 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true