2-fluoro-4-iodo-1-methoxybenzene

• ChemBase ID: 273756
• Molecular Formular: C7H6FIO
• Molecular Mass: 252.0248132
• Monoisotopic Mass: 251.94474103
• SMILES: c1(cc(ccc1OC)I)F
• Canonical SMILES: COc1ccc(cc1F)I
• InChI: InChI=1S/C7H6FIO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
• InChIKey: YZAKENGNADHGSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00691526
• PubChem SID: 164329666
• PubChem CID: 223102

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: 17.886614 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): 3.316

Product Information

• Purity: 95%