2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide

C5H6F3NO2 — CID 75300381

IUPAC2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide
SMILESCC(C=O)NC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c1-3(2-10)9-4(11)5(6,7)8/h2-3H,1H3,(H,9,11)
InChIKeyDSWUJEOJRVGAOW-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.25
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide

2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide (PubChem CID 75300381) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide
PubChem CID75300381
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide
SMILESCC(C=O)NC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c1-3(2-10)9-4(11)5(6,7)8/h2-3H,1H3,(H,9,11)
InChIKeyDSWUJEOJRVGAOW-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide 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 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide (CID 75300381) is 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide is CC(C=O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide?
The InChIKey is DSWUJEOJRVGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c1-3(2-10)9-4(11)5(6,7)8/h2-3H,1H3,(H,9,11).
What are the key properties of 2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide?
2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide has a molecular weight of 169.10 g/mol, XLogP of 0.25, 2 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-(1-oxopropan-2-yl)acetamide is sourced from PubChem (CID 75300381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).