4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one

C5H7F3N2O2 — CID 67246561

IUPAC4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one
SMILESNC1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)2-10-4(11)3(9)1-12-10/h3H,1-2,9H2
InChIKeyNZUGGTIAEZIRAB-UHFFFAOYSA-N
MW184.12 g/mol
LogP-0.35
Rot. Bonds1

About 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one

4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one (PubChem CID 67246561) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one
PubChem CID67246561
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one
SMILESNC1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)2-10-4(11)3(9)1-12-10/h3H,1-2,9H2
InChIKeyNZUGGTIAEZIRAB-UHFFFAOYSA-N
XLogP-0.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one?
The IUPAC name of 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one (CID 67246561) is 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one is NC1CON(CC(F)(F)F)C1=O.
What is the InChIKey of 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one?
The InChIKey is NZUGGTIAEZIRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c6-5(7,8)2-10-4(11)3(9)1-12-10/h3H,1-2,9H2.
What are the key properties of 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one?
4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one has a molecular weight of 184.12 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 67246561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).