N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide

C4H5F3N2O3 — CID 112551121

IUPACN-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide
SMILESNC(=O)CONC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3N2O3/c5-4(6,7)3(11)9-12-1-2(8)10/h1H2,(H2,8,10)(H,9,11)
InChIKeyIDGZQAYDSKQZBT-UHFFFAOYSA-N
MW186.09 g/mol
LogP-0.92
Rot. Bonds3

About N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide

N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide (PubChem CID 112551121) has the molecular formula C4H5F3N2O3 and a molecular weight of 186.09 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide
PubChem CID112551121
Molecular FormulaC4H5F3N2O3
Molecular Weight186.09 g/mol
Exact Mass186.03
IUPAC NameN-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide
SMILESNC(=O)CONC(=O)C(F)(F)F
InChIInChI=1S/C4H5F3N2O3/c5-4(6,7)3(11)9-12-1-2(8)10/h1H2,(H2,8,10)(H,9,11)
InChIKeyIDGZQAYDSKQZBT-UHFFFAOYSA-N
XLogP-0.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethoxy)-2-methyl-2-(methylamino)propanamide
CID 112674056
N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
CID 112550922
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
CID 112674142
butyl N-(2-amino-2-oxoethoxy)carbamate
CID 54092623
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 112672362
2,2,2-trifluoroacetic acid;2-[(2,2,2-trifluoroacetyl)amino]ethyl carbamate
CID 175565689
4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
N-(2-amino-2-oxoethoxy)-2-ethylbutanamide
CID 112550828

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide (CID 112551121) is N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide is NC(=O)CONC(=O)C(F)(F)F.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide?
The InChIKey is IDGZQAYDSKQZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2O3/c5-4(6,7)3(11)9-12-1-2(8)10/h1H2,(H2,8,10)(H,9,11).
What are the key properties of N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide?
N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide has a molecular weight of 186.09 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 112551121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).