ethyl 2-(2,5-difluorophenyl)acetate

• ChemBase ID: 95944
• Molecular Formular: C10H10F2O2
• Molecular Mass: 200.1820064
• Monoisotopic Mass: 200.064886
• SMILES: O=C(Cc1c(ccc(c1)F)F)OCC
• Canonical SMILES: CCOC(=O)Cc1cc(F)ccc1F
• InChI: InChI=1S/C10H10F2O2/c1-2-14-10(13)6-7-5-8(11)3-4-9(7)12/h3-5H,2,6H2,1H3
• InChIKey: BURCDXBMXLYODS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2,5-difluorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(2,5-difluorophenyl)acetate
• Synonyms: ethyl 2-(2,5-difluorophenyl)acetate

Database IDs

• MDL Number: MFCD02089806
• PubChem SID: 162082593
• PubChem CID: 2780681

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.3991
• Log P: 2.3991
• Molar Refractivity: 47.3161 cm^3
• Polarizability: 17.914824 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3991