1,3,5-trifluoro-2-iodobenzene

• ChemBase ID: 294127
• Molecular Formular: C6H2F3I
• Molecular Mass: 257.9797596
• Monoisotopic Mass: 257.91533272
• SMILES: Fc1cc(F)c(I)c(F)c1
• Canonical SMILES: Fc1cc(F)c(c(c1)F)I
• InChI: InChI=1S/C6H2F3I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• InChIKey: CTUZRFPGJAMCBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-trifluoro-2-iodobenzene
• IUPAC Traditional name: 1,3,5-trifluoro-2-iodobenzene
• Synonyms: 1,3,5-Trifluoro-2-iodobenzene

Database IDs

• CAS Number: 41860-63-3
• MDL Number: MFCD03095328
• PubChem SID: 180679658
• PubChem CID: 2760714

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.330296
• LogD (pH = 7.4): 3.330296
• Log P: 3.330296
• Molar Refractivity: 40.0697 cm^3
• Polarizability: 15.253935 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%