1-(4-fluorophenoxy)-4-iodobenzene

• ChemBase ID: 99710
• Molecular Formular: C12H8FIO
• Molecular Mass: 314.0941932
• Monoisotopic Mass: 313.9603911
• SMILES: Ic1ccc(cc1)Oc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)Oc1ccc(cc1)I
• InChI: InChI=1S/C12H8FIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
• InChIKey: VMSOWDQSUSZYOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenoxy)-4-iodobenzene
• IUPAC Traditional name: 1-(4-fluorophenoxy)-4-iodobenzene
• Synonyms: 4-(4-Fluorophenoxy)iodobenzene; 4-Fluoro-4'-iododiphenyl ether

Database IDs

• MDL Number: MFCD07368761
• PubChem SID: 162085967
• PubChem CID: 2782759

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5451794
• LogD (pH = 7.4): 4.5451794
• Log P: 4.5451794
• Molar Refractivity: 65.8777 cm^3
• Polarizability: 25.464792 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-46°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold