4-(difluoromethoxy)-2-fluorobenzaldehyde

• ChemBase ID: 291697
• Molecular Formular: C8H5F3O2
• Molecular Mass: 190.1193096
• Monoisotopic Mass: 190.02416406
• SMILES: O=Cc1ccc(OC(F)F)cc1F
• Canonical SMILES: O=Cc1ccc(cc1F)OC(F)F
• InChI: InChI=1S/C8H5F3O2/c9-7-3-6(13-8(10)11)2-1-5(7)4-12/h1-4,8H
• InChIKey: YYCQRWDSMUIVEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(difluoromethoxy)-2-fluorobenzaldehyde
• IUPAC Traditional name: 4-(difluoromethoxy)-2-fluorobenzaldehyde
• Synonyms: 4-(Difluoromethoxy)-2-fluorobenzaldehyde

Database IDs

• CAS Number: 1214358-05-0
• MDL Number: MFCD11847162
• PubChem SID: 180677228
• PubChem CID: 46311636

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.597537
• LogD (pH = 7.4): 2.597537
• Log P: 2.597537
• Molar Refractivity: 39.3305 cm^3
• Polarizability: 14.220385 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%