3-fluoro-5-iodobenzaldehyde

• ChemBase ID: 100524
• Molecular Formular: C7H4FIO
• Molecular Mass: 250.0089332
• Monoisotopic Mass: 249.92909097
• SMILES: O=Cc1cc(cc(c1)I)F
• Canonical SMILES: O=Cc1cc(F)cc(c1)I
• InChI: InChI=1S/C7H4FIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
• InChIKey: XULKBHBAGSJSFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-iodobenzaldehyde
• IUPAC Traditional name: 3-fluoro-5-iodobenzaldehyde
• Synonyms: 3-Fluoro-5-iodobenzaldehyde

Database IDs

• MDL Number: MFCD07779030
• PubChem SID: 162087401
• PubChem CID: 26986344

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7573946
• LogD (pH = 7.4): 2.7573946
• Log P: 2.7573946
• Molar Refractivity: 46.2209 cm^3
• Polarizability: 17.302437 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true