3-(trifluoromethyl)-1,3-oxazolidin-2-one

C4H4F3NO2 — CID 12548143

IUPAC3-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(F)(F)F
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)8-1-2-10-3(8)9/h1-2H2
InChIKeyANSIIDKQSMHYOC-UHFFFAOYSA-N
MW155.07 g/mol
LogP0.96
Rot. Bonds

About 3-(trifluoromethyl)-1,3-oxazolidin-2-one

3-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 12548143) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID12548143
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name3-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(F)(F)F
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)8-1-2-10-3(8)9/h1-2H2
InChIKeyANSIIDKQSMHYOC-UHFFFAOYSA-N
XLogP0.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
Ethynyloxazolidinone
CID 12024497
3-(2,2-Difluoroethenyl)-1,3-oxazolidin-2-one
CID 119096794
3-(2-Bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
CID 135039559
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
N-formyl-oxazolidinone
CID 19736925
3-(Trifluoroacetyl)-1,3-oxazolidin-2-one
CID 45080818
4,4-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11506462
4,5-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11535571
3,4-Difluoro-1,3-oxazolidin-2-one
CID 53898392
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 12548143) is 3-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1OCCN1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is ANSIIDKQSMHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)8-1-2-10-3(8)9/h1-2H2.
What are the key properties of 3-(trifluoromethyl)-1,3-oxazolidin-2-one?
3-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 155.07 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 12548143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).