ethyl 2-(3-fluorophenoxy)acetate

• ChemBase ID: 810704
• Molecular Formular: C10H11FO3
• Molecular Mass: 198.1909432
• Monoisotopic Mass: 198.06922243
• SMILES: C(C(=O)OCC)Oc1cc(ccc1)F
• Canonical SMILES: CCOC(=O)COc1cccc(c1)F
• InChI: InChI=1S/C10H11FO3/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3
• InChIKey: UOUDEEISQIAYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-fluorophenoxy)acetate
• IUPAC Traditional name: ethyl 2-(3-fluorophenoxy)acetate
• Synonyms: (3-FLUOROPHENOXY) ACETIC ACID ETHYL ESTER

Database IDs

• CAS Number: 777-70-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9389619
• LogD (pH = 7.4): 1.9389619
• Log P: 1.9389619
• Molar Refractivity: 48.3399 cm^3
• Polarizability: 18.867603 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%