N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide

C8H7F3N2O3 — CID 20805367

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(16)12-3-4-13-5(14)1-2-6(13)15/h1-2H,3-4H2,(H,12,16)
InChIKeySUMFXENMMULQCX-UHFFFAOYSA-N
MW236.15 g/mol
LogP-0.41
Rot. Bonds3

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 20805367) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID20805367
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(16)12-3-4-13-5(14)1-2-6(13)15/h1-2H,3-4H2,(H,12,16)
InChIKeySUMFXENMMULQCX-UHFFFAOYSA-N
XLogP-0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-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-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 20805367) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C1C=CC(=O)N1CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is SUMFXENMMULQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)7(16)12-3-4-13-5(14)1-2-6(13)15/h1-2H,3-4H2,(H,12,16).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 236.15 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 20805367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).