4-fluoro-2-iodo-1-methoxybenzene

• ChemBase ID: 93838
• Molecular Formular: C7H6FIO
• Molecular Mass: 252.0248132
• Monoisotopic Mass: 251.94474103
• SMILES: O(c1c(cc(cc1)F)I)C
• Canonical SMILES: COc1ccc(cc1I)F
• InChI: InChI=1S/C7H6FIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
• InChIKey: AQKSHFBAYIBZCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-iodo-1-methoxybenzene
• IUPAC Traditional name: 4-fluoro-2-iodo-1-methoxybenzene
• Synonyms: 4-Fluoro-2-iodo-1-methoxybenzene; 4-Fluoro-2-iodoanisole

Database IDs

• PubChem SID: 162104919
• PubChem CID: 223103

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8872209
• LogD (pH = 7.4): 2.8872209
• Log P: 2.8872209
• Molar Refractivity: 46.1001 cm^3
• Polarizability: 17.89648 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive