ethyl 2-(2,4-difluorophenyl)acetate

• ChemBase ID: 248086
• Molecular Formular: C10H10F2O2
• Molecular Mass: 200.1820064
• Monoisotopic Mass: 200.064886
• SMILES: c1(c(CC(=O)OCC)ccc(c1)F)F
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1F)F
• InChI: InChI=1S/C10H10F2O2/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6H,2,5H2,1H3
• InChIKey: BVGMVGKUWOWKIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2,4-difluorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(2,4-difluorophenyl)acetate
• Synonyms: ethyl 2-(2,4-difluorophenyl)acetate

Database IDs

• MDL Number: MFCD11555005
• PubChem SID: 164303996
• PubChem CID: 11333118

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3991
• LogD (pH = 7.4): 2.3991
• Log P: 2.3991
• Molar Refractivity: 47.3161 cm^3
• Polarizability: 17.914454 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.635

Product Information

• Purity: 95%