5-(chloromethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 116877
• Molecular Formular: C10H9ClFNO2
• Molecular Mass: 229.6353632
• Monoisotopic Mass: 229.03058443
• SMILES: C1(=O)N(c2ccc(cc2)F)CC(O1)CCl
• Canonical SMILES: ClCC1CN(C(=O)O1)c1ccc(cc1)F
• InChI: InChI=1S/C10H9ClFNO2/c11-5-9-6-13(10(14)15-9)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
• InChIKey: RMTPDKPOZFDWEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-(chloromethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
• Synonyms: 5-(chloromethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD16631773
• PubChem SID: 162102044
• PubChem CID: 45496543

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.3897474
• Log P: 2.3897474
• Molar Refractivity: 52.9214 cm^3
• Polarizability: 20.48353 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3897474

PROPERTIES

Physical Property

• Partition Coefficient: 2.156

Product Information

• Purity: 95+%