(2,6-difluorophenyl)(2H2)methanol

• ChemBase ID: 167443
• Molecular Formular: C7H6F2O
• Molecular Mass: 144.1187464
• Monoisotopic Mass: 144.03867125
• SMILES: c1ccc(c(c1F)CO)F
• Canonical SMILES: OCc1c(F)cccc1F
• InChI: InChI=1S/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
• InChIKey: LVICICZQETYOGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-difluorophenyl)(^2H₂)methanol
• IUPAC Traditional name: (2,6-difluorophenyl)(^2H₂)methanol
• Synonyms: 2,6-Difluorobenzenemethanol-d2; 2,6-Difluorobenzyl Alcohol-d2; 2,6-Difluorophenylmethanol-d2

Database IDs

• PubChem SID: 162261576
• PubChem CID: 71316080

CALCULATED PROPERTIES

• Acid pKa: 14.051763
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4912999
• LogD (pH = 7.4): 1.4912999
• Log P: 1.4912999
• Molar Refractivity: 33.3067 cm^3
• Polarizability: 12.249183 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; CDCl3; Dichloromethane; Methanol
• Apperance: Light Yellow Oil