3-fluoro-2-iodophenol

• ChemBase ID: 241082
• Molecular Formular: C6H4FIO
• Molecular Mass: 237.9982332
• Monoisotopic Mass: 237.92909097
• SMILES: c1(c(F)cccc1O)I
• Canonical SMILES: Ic1c(O)cccc1F
• InChI: InChI=1S/C6H4FIO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• InChIKey: XHWGAGHBXFURTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-iodophenol
• IUPAC Traditional name: 3-fluoro-2-iodophenol
• Synonyms: 3-fluoro-2-iodophenol

Database IDs

• MDL Number: MFCD08166555
• PubChem SID: 164296992
• PubChem CID: 11402153

CALCULATED PROPERTIES

• Acid pKa: 7.4539433
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.73656
• LogD (pH = 7.4): 2.4692314
• Log P: 2.7413268
• Molar Refractivity: 41.6178 cm^3
• Polarizability: 16.070295 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%