1-(difluoromethoxy)-3-fluoro-2-iodobenzene

• ChemBase ID: 242057
• Molecular Formular: C7H4F3IO
• Molecular Mass: 288.0057396
• Monoisotopic Mass: 287.92589741
• SMILES: c1(c(OC(F)F)cccc1F)I
• Canonical SMILES: FC(Oc1cccc(c1I)F)F
• InChI: InChI=1S/C7H4F3IO/c8-4-2-1-3-5(6(4)11)12-7(9)10/h1-3,7H
• InChIKey: RTWSFJOKPIOUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(difluoromethoxy)-3-fluoro-2-iodobenzene
• IUPAC Traditional name: 1-(difluoromethoxy)-3-fluoro-2-iodobenzene
• Synonyms: 1-(difluoromethoxy)-3-fluoro-2-iodobenzene

Database IDs

• MDL Number: MFCD18396809
• PubChem SID: 164297967
• PubChem CID: 71756938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8139791
• LogD (pH = 7.4): 3.8139791
• Log P: 3.8139791
• Molar Refractivity: 46.109 cm^3
• Polarizability: 17.850409 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.682

Product Information

• Purity: 95%