2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid

C11H9F2NO4 — CID 21357377

IUPAC2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO4/c12-7-2-1-6(3-8(7)13)9-5-18-11(17)14(9)4-10(15)16/h1-3,9H,4-5H2,(H,15,16)
InChIKeyOOUIXRWCTBGOCG-UHFFFAOYSA-N
MW257.19 g/mol
LogP1.54
Rot. Bonds3

About 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid

2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid (PubChem CID 21357377) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
PubChem CID21357377
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO4/c12-7-2-1-6(3-8(7)13)9-5-18-11(17)14(9)4-10(15)16/h1-3,9H,4-5H2,(H,15,16)
InChIKeyOOUIXRWCTBGOCG-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid (CID 21357377) is 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid is O=C(O)CN1C(=O)OCC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
The InChIKey is OOUIXRWCTBGOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c12-7-2-1-6(3-8(7)13)9-5-18-11(17)14(9)4-10(15)16/h1-3,9H,4-5H2,(H,15,16).
What are the key properties of 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid?
2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid has a molecular weight of 257.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid is sourced from PubChem (CID 21357377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).