2-(2,3-difluoro-6-iodophenyl)ethan-1-ol

• ChemBase ID: 810614
• Molecular Formular: C8H7F2IO
• Molecular Mass: 284.0418564
• Monoisotopic Mass: 283.95096928
• SMILES: C(Cc1c(c(ccc1I)F)F)O
• Canonical SMILES: OCCc1c(I)ccc(c1F)F
• InChI: InChI=1S/C8H7F2IO/c9-6-1-2-7(11)5(3-4-12)8(6)10/h1-2,12H,3-4H2
• InChIKey: MWIQTECJGGLYFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-difluoro-6-iodophenyl)ethan-1-ol
• IUPAC Traditional name: 2-(2,3-difluoro-6-iodophenyl)ethanol
• Synonyms: 6-IODO-2,3-DIFLUOROBENZENEETHANOL

CALCULATED PROPERTIES

• Acid pKa: 15.648234
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7089057
• LogD (pH = 7.4): 2.7089057
• Log P: 2.7089057
• Molar Refractivity: 51.4242 cm^3
• Polarizability: 19.463514 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%