(2,3-difluoro-6-iodophenyl)methanol

• ChemBase ID: 810622
• Molecular Formular: C7H5F2IO
• Molecular Mass: 270.0152764
• Monoisotopic Mass: 269.93531922
• SMILES: C(O)c1c(c(ccc1I)F)F
• Canonical SMILES: OCc1c(I)ccc(c1F)F
• InChI: InChI=1S/C7H5F2IO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2,11H,3H2
• InChIKey: VCWVTFCMNOEKQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-difluoro-6-iodophenyl)methanol
• IUPAC Traditional name: (2,3-difluoro-6-iodophenyl)methanol
• Synonyms: 6-IODO-2,3-DIFLUOROBENZENEMETHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.171751
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4202445
• LogD (pH = 7.4): 2.4202442
• Log P: 2.4202445
• Molar Refractivity: 46.6692 cm^3
• Polarizability: 17.758825 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%