2-(difluoromethoxy)-6-fluorobenzaldehyde

• ChemBase ID: 291662
• Molecular Formular: C8H5F3O2
• Molecular Mass: 190.1193096
• Monoisotopic Mass: 190.02416406
• SMILES: O=Cc1c(F)cccc1OC(F)F
• Canonical SMILES: O=Cc1c(cccc1F)OC(F)F
• InChI: InChI=1S/C8H5F3O2/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-4,8H
• InChIKey: QILUBEGQUQUXDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-6-fluorobenzaldehyde
• IUPAC Traditional name: 2-(difluoromethoxy)-6-fluorobenzaldehyde
• Synonyms: 2-(Difluoromethoxy)-6-fluorobenzaldehyde

Database IDs

• CAS Number: 1214333-68-2
• MDL Number: MFCD14698497
• PubChem SID: 180677193
• PubChem CID: 46311638

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: 14.22263 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%