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

C5H4F3NO3 — CID 45080818

IUPAC3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO3/c6-5(7,8)3(10)9-1-2-12-4(9)11/h1-2H2
InChIKeyGVDHGWMICZRFTL-UHFFFAOYSA-N
MW183.08 g/mol
LogP0.53
Rot. Bonds

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

3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one (PubChem CID 45080818) has the molecular formula C5H4F3NO3 and a molecular weight of 183.08 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one
PubChem CID45080818
Molecular FormulaC5H4F3NO3
Molecular Weight183.08 g/mol
Exact Mass183.01
IUPAC Name3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(F)(F)F
InChIInChI=1S/C5H4F3NO3/c6-5(7,8)3(10)9-1-2-12-4(9)11/h1-2H2
InChIKeyGVDHGWMICZRFTL-UHFFFAOYSA-N
XLogP0.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one (CID 45080818) is 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one?
The InChIKey is GVDHGWMICZRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO3/c6-5(7,8)3(10)9-1-2-12-4(9)11/h1-2H2.
What are the key properties of 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one?
3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one has a molecular weight of 183.08 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 45080818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).