2-fluoroethyl 2-(4-phenylphenyl)acetate

• ChemBase ID: 127442
• Molecular Formular: C16H15FO2
• Molecular Mass: 258.2875032
• Monoisotopic Mass: 258.10560794
• SMILES: O=C(OCCF)Cc1ccc(cc1)c1ccccc1
• Canonical SMILES: FCCOC(=O)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2
• InChIKey: XAERLJMOUYEBAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethyl 2-(4-phenylphenyl)acetate
• IUPAC Traditional name: fluenethyl
• Synonyms: Fluenetil

Database IDs

• CAS Number: 4301-50-2
• PubChem SID: 162221763
• PubChem CID: 20288
• Chemspider ID: 19113
• Wikipedia Title: Fluenetil

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6051033
• LogD (pH = 7.4): 3.6051033
• Log P: 3.6051033
• Molar Refractivity: 71.8711 cm^3
• Polarizability: 29.080944 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true