1-ethoxy-2,3-difluoro-4-iodobenzene

• ChemBase ID: 797563
• Molecular Formular: C8H7F2IO
• Molecular Mass: 284.0418564
• Monoisotopic Mass: 283.95096928
• SMILES: c1(c(c(c(cc1)I)F)F)OCC
• Canonical SMILES: CCOc1ccc(c(c1F)F)I
• InChI: InChI=1S/C8H7F2IO/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4H,2H2,1H3
• InChIKey: WZQBGHWYRCIGDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2,3-difluoro-4-iodobenzene
• IUPAC Traditional name: 1-ethoxy-2,3-difluoro-4-iodobenzene
• Synonyms: 1-ethoxy-2,3-difluoro-4-iodobenzene

Database IDs

• CAS Number: 144292-42-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.386731
• LogD (pH = 7.4): 3.386731
• Log P: 3.386731
• Molar Refractivity: 51.0651 cm^3
• Polarizability: 19.584846 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%