N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide

C8H11F3N2O2 — CID 59268300

IUPACN-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)13-3-2-6(4-13)12-7(15)8(9,10)11/h6H,2-4H2,1H3,(H,12,15)
InChIKeyRWNZUOUYCTWRNL-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.29
Rot. Bonds1

About N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide

N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 59268300) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID59268300
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)13-3-2-6(4-13)12-7(15)8(9,10)11/h6H,2-4H2,1H3,(H,12,15)
InChIKeyRWNZUOUYCTWRNL-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-acetylpyrrolidin-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide (CID 59268300) is N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide is CC(=O)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is RWNZUOUYCTWRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5(14)13-3-2-6(4-13)12-7(15)8(9,10)11/h6H,2-4H2,1H3,(H,12,15).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59268300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).