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

• ChemBase ID: 798469
• Molecular Formular: C10H9ClFNO2
• Molecular Mass: 229.6353632
• Monoisotopic Mass: 229.03058443
• SMILES: O1C(=O)N(C[C@@H]1CCl)c1cc(ccc1)F
• Canonical SMILES: ClC[C@@H]1OC(=O)N(C1)c1cccc(c1)F
• InChI: InChI=1S/C10H9ClFNO2/c11-5-9-6-13(10(14)15-9)8-3-1-2-7(12)4-8/h1-4,9H,5-6H2/t9-/m0/s1
• InChIKey: LQGKTOFWKSAAEK-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 879215-66-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3897474
• LogD (pH = 7.4): 2.3897474
• Log P: 2.3897474
• Molar Refractivity: 52.9214 cm^3
• Polarizability: 20.484013 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%