1-(2,5-difluorophenyl)ethan-1-ol

• ChemBase ID: 257798
• Molecular Formular: C8H8F2O
• Molecular Mass: 158.1453264
• Monoisotopic Mass: 158.05432132
• SMILES: c1(c(ccc(c1)F)F)C(O)C
• Canonical SMILES: Fc1ccc(c(c1)C(O)C)F
• InChI: InChI=1S/C8H8F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3
• InChIKey: RCPAVJXGLFKACE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-difluorophenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2,5-difluorophenyl)ethanol
• Synonyms: 1-(2,5-difluorophenyl)ethanol

Database IDs

• MDL Number: MFCD08442989
• PubChem SID: 164313708
• PubChem CID: 16769762

CALCULATED PROPERTIES

• Acid pKa: 14.268787
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.907875
• LogD (pH = 7.4): 1.907875
• Log P: 1.907875
• Molar Refractivity: 37.7255 cm^3
• Polarizability: 14.055147 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.699

Product Information

• Purity: 95%