4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid

C11H9F2NO4 — CID 18476144

IUPAC4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCC1OC(=O)N(C(=O)O)C1c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO4/c1-5-9(14(10(15)16)11(17)18-5)6-2-3-7(12)8(13)4-6/h2-5,9H,1H3,(H,15,16)
InChIKeyAMNCOTKBKHXNLP-UHFFFAOYSA-N
MW257.19 g/mol
LogP2.52
Rot. Bonds1

About 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid

4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 18476144) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID18476144
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCC1OC(=O)N(C(=O)O)C1c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO4/c1-5-9(14(10(15)16)11(17)18-5)6-2-3-7(12)8(13)4-6/h2-5,9H,1H3,(H,15,16)
InChIKeyAMNCOTKBKHXNLP-UHFFFAOYSA-N
XLogP2.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid (CID 18476144) is 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid is CC1OC(=O)N(C(=O)O)C1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is AMNCOTKBKHXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c1-5-9(14(10(15)16)11(17)18-5)6-2-3-7(12)8(13)4-6/h2-5,9H,1H3,(H,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid?
4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 257.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 18476144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).