ethyl 2,2-difluoro-2-(2-fluorophenyl)acetate

• ChemBase ID: 243755
• Molecular Formular: C10H9F3O2
• Molecular Mass: 218.1724696
• Monoisotopic Mass: 218.05546419
• SMILES: C(c1c(F)cccc1)(C(=O)OCC)(F)F
• Canonical SMILES: CCOC(=O)C(c1ccccc1F)(F)F
• InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)10(12,13)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
• InChIKey: VTTGEZSPJKXKAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,2-difluoro-2-(2-fluorophenyl)acetate
• IUPAC Traditional name: ethyl 2,2-difluoro-2-(2-fluorophenyl)acetate
• Synonyms: ethyl 2,2-difluoro-2-(2-fluorophenyl)acetate

Database IDs

• MDL Number: MFCD16779252
• PubChem SID: 164299665
• PubChem CID: 62492424

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0244064
• LogD (pH = 7.4): 3.0244064
• Log P: 3.0244064
• Molar Refractivity: 47.2185 cm^3
• Polarizability: 17.809217 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.188

Product Information

• Purity: 95%