ethyl 2-[3-(trifluoromethoxy)phenoxy]acetate

• ChemBase ID: 810705
• Molecular Formular: C11H11F3O4
• Molecular Mass: 264.1978496
• Monoisotopic Mass: 264.06094349
• SMILES: C(C(=O)OCC)Oc1cc(ccc1)OC(F)(F)F
• Canonical SMILES: CCOC(=O)COc1cccc(c1)OC(F)(F)F
• InChI: InChI=1S/C11H11F3O4/c1-2-16-10(15)7-17-8-4-3-5-9(6-8)18-11(12,13)14/h3-6H,2,7H2,1H3
• InChIKey: SZTWSVKRXGTXPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[3-(trifluoromethoxy)phenoxy]acetate
• IUPAC Traditional name: ethyl 2-[3-(trifluoromethoxy)phenoxy]acetate
• Synonyms: (3-TRIFLUOROMETHOXYPHENOXY) ACETIC ACID ETHYL ESTER

Database IDs

• CAS Number: 1060803-06-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2273715
• LogD (pH = 7.4): 3.2273715
• Log P: 3.2273715
• Molar Refractivity: 51.1938 cm^3
• Polarizability: 21.196833 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%