ethyl 2-[(2-fluorophenyl)amino]acetate

• ChemBase ID: 261575
• Molecular Formular: C10H12FNO2
• Molecular Mass: 197.2061832
• Monoisotopic Mass: 197.08520685
• SMILES: N(c1c(F)cccc1)CC(=O)OCC
• Canonical SMILES: CCOC(=O)CNc1ccccc1F
• InChI: InChI=1S/C10H12FNO2/c1-2-14-10(13)7-12-9-6-4-3-5-8(9)11/h3-6,12H,2,7H2,1H3
• InChIKey: DSNIYVJASXKFFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-fluorophenyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-fluorophenyl)amino]acetate
• Synonyms: ethyl 2-[(2-fluorophenyl)amino]acetate

Database IDs

• MDL Number: MFCD11153390
• PubChem SID: 164317485
• PubChem CID: 28581825

CALCULATED PROPERTIES

• Acid pKa: 12.636386
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5694112
• LogD (pH = 7.4): 1.5694088
• Log P: 1.5694112
• Molar Refractivity: 52.0705 cm^3
• Polarizability: 19.3065 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.368

Product Information

• Purity: 95%