4-fluorophenyl 4-iodobenzoate

• ChemBase ID: 94410
• Molecular Formular: C13H8FIO2
• Molecular Mass: 342.1042932
• Monoisotopic Mass: 341.95530572
• SMILES: O(c1ccc(cc1)F)C(=O)c1ccc(cc1)I
• Canonical SMILES: Fc1ccc(cc1)OC(=O)c1ccc(cc1)I
• InChI: InChI=1S/C13H8FIO2/c14-10-3-7-12(8-4-10)17-13(16)9-1-5-11(15)6-2-9/h1-8H
• InChIKey: BBZTZHNFBXXEIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorophenyl 4-iodobenzoate
• IUPAC Traditional name: 4-fluorophenyl 4-iodobenzoate
• Synonyms: 4-Fluorophenyl 4-iodobenzoate

Database IDs

• MDL Number: MFCD08458015
• PubChem SID: 162081064
• PubChem CID: 26985089

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7063274
• LogD (pH = 7.4): 4.7063274
• Log P: 4.7063274
• Molar Refractivity: 71.4398 cm^3
• Polarizability: 27.364521 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true