ethyl 2-[4-fluoro(2H4)phenoxy]acetate

• ChemBase ID: 169198
• Molecular Formular: C10H11FO3
• Molecular Mass: 198.1909432
• Monoisotopic Mass: 198.06922243
• SMILES: c1c(ccc(c1)OCC(=O)OCC)F
• Canonical SMILES: CCOC(=O)COc1ccc(cc1)F
• InChI: InChI=1S/C10H11FO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
• InChIKey: JZLDBMSPNHYJEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[4-fluoro(^2H₄)phenoxy]acetate
• IUPAC Traditional name: ethyl 2-[4-fluoro(^2H₄)phenoxy]acetate
• Synonyms: (4-Fluorophenoxy-d4)-acetic Acid Ethyl Ester; (p-Fluorophenoxy-d4)-acetic Acid Ethyl Ester; (4-Fluorophenoxy-d4)acetic Acid Ethyl Ester; Ethyl (4-Fluorophenoxy-d4)acetate; Ethyl 2-(4-Fluorophenoxy-d4)acetate; Ethyl p-Fluorophenoxyacetate-d4; 2-(4-Fluorophenoxy-d4)-acetic Acid Ethyl Ester

Database IDs

• PubChem SID: 162263330
• PubChem CID: 71316858

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: 18.894728 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Colorless Oil