N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide

C6H5F3N2O4 — CID 118066046

IUPACN-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C1N[C@H](CNC(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H5F3N2O4/c7-6(8,9)4(13)10-1-2-3(12)15-5(14)11-2/h2H,1H2,(H,10,13)(H,11,14)/t2-/m1/s1
InChIKeyMDVLDSZHSCMJAA-UWTATZPHSA-N
MW226.11 g/mol
LogP-0.70
Rot. Bonds2

About N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 118066046) has the molecular formula C6H5F3N2O4 and a molecular weight of 226.11 g/mol. Its IUPAC name is N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID118066046
Molecular FormulaC6H5F3N2O4
Molecular Weight226.11 g/mol
Exact Mass226.02
IUPAC NameN-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C1N[C@H](CNC(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H5F3N2O4/c7-6(8,9)4(13)10-1-2-3(12)15-5(14)11-2/h2H,1H2,(H,10,13)(H,11,14)/t2-/m1/s1
InChIKeyMDVLDSZHSCMJAA-UWTATZPHSA-N
XLogP-0.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide (CID 118066046) is N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide is O=C1N[C@H](CNC(=O)C(F)(F)F)C(=O)O1.
What is the InChIKey of N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is MDVLDSZHSCMJAA-UWTATZPHSA-N. The full InChI is InChI=1S/C6H5F3N2O4/c7-6(8,9)4(13)10-1-2-3(12)15-5(14)11-2/h2H,1H2,(H,10,13)(H,11,14)/t2-/m1/s1.
What are the key properties of N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 226.11 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118066046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).