3-[2-(4-fluorophenoxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

• ChemBase ID: 684485
• Molecular Formular: C13H14FNO4
• Molecular Mass: 267.2529632
• Monoisotopic Mass: 267.09068615
• SMILES: N1(C(=O)OC(C1=O)(C)C)CCOc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)OCCN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C13H14FNO4/c1-13(2)11(16)15(12(17)19-13)7-8-18-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3
• InChIKey: GTMWJPYGDOKYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-fluorophenoxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: 3-[2-(4-fluorophenoxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• Synonyms: 3-[2-(4-fluorophenoxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2908978
• LogD (pH = 7.4): 2.2908978
• Log P: 2.2908978
• Molar Refractivity: 63.9688 cm^3
• Polarizability: 24.93629 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.35
• LOG S: -3.16
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 4