4-(2,2-difluoroethoxy)benzaldehyde

• ChemBase ID: 282725
• Molecular Formular: C9H8F2O2
• Molecular Mass: 186.1554264
• Monoisotopic Mass: 186.04923594
• SMILES: O=Cc1ccc(OCC(F)F)cc1
• Canonical SMILES: O=Cc1ccc(cc1)OCC(F)F
• InChI: InChI=1S/C9H8F2O2/c10-9(11)6-13-8-3-1-7(5-12)2-4-8/h1-5,9H,6H2
• InChIKey: MFNUWGXZNWXFAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,2-difluoroethoxy)benzaldehyde
• IUPAC Traditional name: 4-(2,2-difluoroethoxy)benzaldehyde
• Synonyms: 4-(2,2-difluoroethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD12807547
• PubChem SID: 180668256
• PubChem CID: 19436202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9944127
• LogD (pH = 7.4): 1.9944127
• Log P: 1.9944127
• Molar Refractivity: 43.6656 cm^3
• Polarizability: 16.133112 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.354

Product Information

• Purity: 95%