2,2,2-trifluoro-N-methoxyacetamide

C3H4F3NO2 — CID 62492180

IUPAC2,2,2-trifluoro-N-methoxyacetamide
SMILESCONC(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2/c1-9-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKeyJPONKUPQQBUFMY-UHFFFAOYSA-N
MW143.06 g/mol
LogP0.23
Rot. Bonds1

About 2,2,2-trifluoro-N-methoxyacetamide

2,2,2-trifluoro-N-methoxyacetamide (PubChem CID 62492180) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methoxyacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methoxyacetamide
PubChem CID62492180
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Name2,2,2-trifluoro-N-methoxyacetamide
SMILESCONC(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2/c1-9-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKeyJPONKUPQQBUFMY-UHFFFAOYSA-N
XLogP0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-methoxyacetamide 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-ethoxy-2,2,2-trifluoroacetamide
CID 62492516
2,2-difluoro-N-methoxyacetamide
CID 103515761
N-ethoxy-2,2-difluoroacetamide
CID 103610610
N-(2,2-difluoroethoxy)acetamide
CID 130471289
N-(trifluoromethoxy)acetamide
CID 145063070
N-(difluoromethoxy)acetamide
CID 153915700
2,2-difluoro-N-methoxypropanamide
CID 71302388
N-(2,2,2-trifluoroethoxy)acetamide
CID 81340034
2,2,3,3,3-pentafluoro-N-methoxypropanamide
CID 108095271

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methoxyacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methoxyacetamide (CID 62492180) is 2,2,2-trifluoro-N-methoxyacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methoxyacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methoxyacetamide is CONC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methoxyacetamide?
The InChIKey is JPONKUPQQBUFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c1-9-7-2(8)3(4,5)6/h1H3,(H,7,8).
What are the key properties of 2,2,2-trifluoro-N-methoxyacetamide?
2,2,2-trifluoro-N-methoxyacetamide has a molecular weight of 143.06 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methoxyacetamide is sourced from PubChem (CID 62492180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).