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

• ChemBase ID: 239406
• Molecular Formular: C9H10ClFO
• Molecular Mass: 188.6265032
• Monoisotopic Mass: 188.04042084
• SMILES: c1(c(F)cccc1Cl)C(O)CC
• Canonical SMILES: CCC(c1c(F)cccc1Cl)O
• InChI: InChI=1S/C9H10ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
• InChIKey: DNNYTGFHRGABPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloro-6-fluorophenyl)propan-1-ol
• IUPAC Traditional name: 1-(2-chloro-6-fluorophenyl)propan-1-ol
• Synonyms: 1-(2-chloro-6-fluorophenyl)propan-1-ol

Database IDs

• MDL Number: MFCD16302801
• PubChem SID: 164295316
• PubChem CID: 63894092

CALCULATED PROPERTIES

• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.905716
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.89174
• LogD (pH = 7.4): 2.8917398
• Log P: 2.89174
• Molar Refractivity: 46.8379 cm^3
• Polarizability: 18.048447 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.798

Product Information

• Purity: 95%