5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one

C10H9F2NO2 — CID 22619230

IUPAC5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-5-9(15-10(14)13-5)6-2-3-7(11)8(12)4-6/h2-5,9H,1H3,(H,13,14)
InChIKeyYUXHJXALQFDGIS-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.13
Rot. Bonds1

About 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one

5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 22619230) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID22619230
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1NC(=O)OC1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-5-9(15-10(14)13-5)6-2-3-7(11)8(12)4-6/h2-5,9H,1H3,(H,13,14)
InChIKeyYUXHJXALQFDGIS-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 22619230) is 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one is CC1NC(=O)OC1c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is YUXHJXALQFDGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-5-9(15-10(14)13-5)6-2-3-7(11)8(12)4-6/h2-5,9H,1H3,(H,13,14).
What are the key properties of 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 213.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).