(3-fluoro-2-iodophenyl)methanol

• ChemBase ID: 242553
• Molecular Formular: C7H6FIO
• Molecular Mass: 252.0248132
• Monoisotopic Mass: 251.94474103
• SMILES: c1(c(CO)cccc1F)I
• Canonical SMILES: OCc1cccc(c1I)F
• InChI: InChI=1S/C7H6FIO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
• InChIKey: ONXZKWFZKQVMIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-2-iodophenyl)methanol
• IUPAC Traditional name: (3-fluoro-2-iodophenyl)methanol
• Synonyms: (3-fluoro-2-iodophenyl)methanol

Database IDs

• MDL Number: MFCD18396946
• PubChem SID: 164298463
• PubChem CID: 71757042

CALCULATED PROPERTIES

• Acid pKa: 14.647426
• 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: 17.844234 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.07

Product Information

• Purity: 95%