4-fluoro-1,2-diiodobenzene

• ChemBase ID: 100054
• Molecular Formular: C6H3FI2
• Molecular Mass: 347.8953632
• Monoisotopic Mass: 347.83082432
• SMILES: Fc1ccc(c(c1)I)I
• Canonical SMILES: Fc1ccc(c(c1)I)I
• InChI: InChI=1S/C6H3FI2/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: YWDQZXYXZFFYJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1,2-diiodobenzene
• IUPAC Traditional name: 4-fluoro-1,2-diiodobenzene
• Synonyms: 1,2-Diiodo-4-fluorobenzene 97%

Database IDs

• MDL Number: MFCD00042576
• PubChem SID: 162086253
• PubChem CID: 2774254

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9738367
• LogD (pH = 7.4): 3.9738367
• Log P: 3.9738367
• Molar Refractivity: 52.9994 cm^3
• Polarizability: 20.908754 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant