5-(2,4-difluorophenyl)furan-2-carbaldehyde

• ChemBase ID: 17655
• Molecular Formular: C11H6F2O2
• Molecular Mass: 208.1609464
• Monoisotopic Mass: 208.03358587
• SMILES: c1(c2c(cc(cc2)F)F)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)c1ccc(cc1F)F
• InChI: InChI=1S/C11H6F2O2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H
• InChIKey: JOKLUPUCUUTVHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,4-difluorophenyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(2,4-difluorophenyl)furan-2-carbaldehyde
• Synonyms: 5-(2,4-Difluoro-phenyl)-furan-2-carbaldehyde

Database IDs

• MDL Number: MFCD00052577
• PubChem SID: 160980962
• PubChem CID: 592189

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5986252
• LogD (pH = 7.4): 2.5986252
• Log P: 2.5986252
• Molar Refractivity: 50.4794 cm^3
• Polarizability: 19.421635 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false