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

C13H13F2NO3 — CID 20723006

IUPAC3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC(C)(C)C1c1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2NO3/c1-7(17)16-11(13(2,3)19-12(16)18)8-4-5-9(14)10(15)6-8/h4-6,11H,1-3H3
InChIKeyVWDNOKTVPXTTHZ-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.78
Rot. Bonds1

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

3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 20723006) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID20723006
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1C(=O)OC(C)(C)C1c1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2NO3/c1-7(17)16-11(13(2,3)19-12(16)18)8-4-5-9(14)10(15)6-8/h4-6,11H,1-3H3
InChIKeyVWDNOKTVPXTTHZ-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one (CID 20723006) is 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one is CC(=O)N1C(=O)OC(C)(C)C1c1ccc(F)c(F)c1.
What is the InChIKey of 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is VWDNOKTVPXTTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c1-7(17)16-11(13(2,3)19-12(16)18)8-4-5-9(14)10(15)6-8/h4-6,11H,1-3H3.
What are the key properties of 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 269.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20723006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).