2-(acetyloxy)-3-fluorophenyl acetate

• ChemBase ID: 96544
• Molecular Formular: C10H9FO4
• Molecular Mass: 212.1744632
• Monoisotopic Mass: 212.04848699
• SMILES: O(c1c(cccc1F)OC(=O)C)C(=O)C
• Canonical SMILES: CC(=O)Oc1c(cccc1F)OC(=O)C
• InChI: InChI=1S/C10H9FO4/c1-6(12)14-9-5-3-4-8(11)10(9)15-7(2)13/h3-5H,1-2H3
• InChIKey: SFTJLHYKOIAVMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(acetyloxy)-3-fluorophenyl acetate
• IUPAC Traditional name: 2-(acetyloxy)-3-fluorophenyl acetate
• Synonyms: 2-(acetyloxy)-3-fluorophenyl acetate

Database IDs

• MDL Number: MFCD00662451
• PubChem SID: 162083193
• PubChem CID: 540078

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3304697
• LogD (pH = 7.4): 1.3304697
• Log P: 1.3304697
• Molar Refractivity: 48.5392 cm^3
• Polarizability: 18.996801 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true