(2-fluoro-5-iodophenyl)methanol

• ChemBase ID: 98955
• Molecular Formular: C7H6FIO
• Molecular Mass: 252.0248132
• Monoisotopic Mass: 251.94474103
• SMILES: Ic1cc(c(cc1)F)CO
• Canonical SMILES: OCc1cc(I)ccc1F
• InChI: InChI=1S/C7H6FIO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
• InChIKey: RNOKFZIPFZZIAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-5-iodophenyl)methanol
• IUPAC Traditional name: (2-fluoro-5-iodophenyl)methanol
• Synonyms: (2-Fluoro-5-iodophenyl)methanol; 2-Fluoro-5-iodobenzyl alcohol

Database IDs

• PubChem SID: 162105278
• PubChem CID: 22220046

CALCULATED PROPERTIES

• Acid pKa: 14.454171
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2775424
• LogD (pH = 7.4): 2.2775424
• Log P: 2.2775424
• Molar Refractivity: 46.4528 cm^3
• Polarizability: 17.832323 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive