2-(difluoromethoxy)phenol

• ChemBase ID: 271113
• Molecular Formular: C7H6F2O2
• Molecular Mass: 160.1181464
• Monoisotopic Mass: 160.03358587
• SMILES: O(C(F)F)c1c(O)cccc1
• Canonical SMILES: FC(Oc1ccccc1O)F
• InChI: InChI=1S/C7H6F2O2/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H
• InChIKey: PVNTURWWDZNXTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)phenol
• IUPAC Traditional name: 2-(difluoromethoxy)phenol
• Synonyms: 2-(difluoromethoxy)phenol

Database IDs

• MDL Number: MFCD00236234
• PubChem SID: 164327023
• PubChem CID: 2774121

CALCULATED PROPERTIES

• Acid pKa: 9.696236
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.43874
• LogD (pH = 7.4): 2.4365923
• Log P: 2.4387674
• Molar Refractivity: 34.511 cm^3
• Polarizability: 13.067096 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.77

Product Information

• Purity: 95%