N-ethyl-2,2,2-trifluoro-N-methoxyacetamide

C5H8F3NO2 — CID 59512182

IUPACN-ethyl-2,2,2-trifluoro-N-methoxyacetamide
SMILESCCN(OC)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3-9(11-2)4(10)5(6,7)8/h3H2,1-2H3
InChIKeyBTBCAWLXXZTZHL-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.96
Rot. Bonds2

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

N-ethyl-2,2,2-trifluoro-N-methoxyacetamide (PubChem CID 59512182) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-methoxyacetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-methoxyacetamide
PubChem CID59512182
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-ethyl-2,2,2-trifluoro-N-methoxyacetamide
SMILESCCN(OC)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3-9(11-2)4(10)5(6,7)8/h3H2,1-2H3
InChIKeyBTBCAWLXXZTZHL-UHFFFAOYSA-N
XLogP0.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-methoxyacetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-methoxyacetamide (CID 59512182) is N-ethyl-2,2,2-trifluoro-N-methoxyacetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-methoxyacetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-methoxyacetamide is CCN(OC)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-methoxyacetamide?
The InChIKey is BTBCAWLXXZTZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3-9(11-2)4(10)5(6,7)8/h3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-methoxyacetamide?
N-ethyl-2,2,2-trifluoro-N-methoxyacetamide has a molecular weight of 171.12 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-methoxyacetamide is sourced from PubChem (CID 59512182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).