1-(difluoromethoxy)-2-iodobenzene

• ChemBase ID: 99548
• Molecular Formular: C7H5F2IO
• Molecular Mass: 270.0152764
• Monoisotopic Mass: 269.93531922
• SMILES: Ic1c(cccc1)OC(F)F
• Canonical SMILES: FC(Oc1ccccc1I)F
• InChI: InChI=1S/C7H5F2IO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H
• InChIKey: BZOXAMCTTCQOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(difluoromethoxy)-2-iodobenzene
• IUPAC Traditional name: 1-(difluoromethoxy)-2-iodobenzene
• Synonyms: 2-(Difluoromethoxy)iodobenzene; 1-(Difluoromethoxy)-2-iodobenzene

Database IDs

• MDL Number: MFCD09749662
• PubChem SID: 162085811
• PubChem CID: 15945938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6712773
• LogD (pH = 7.4): 3.6712773
• Log P: 3.6712773
• Molar Refractivity: 45.8926 cm^3
• Polarizability: 17.877739 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant