(3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione

C8H6F3NO3 — CID 155351084

IUPAC(3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
SMILESCC(=O)N1C(=O)C/C(=C/C(F)(F)F)C1=O
InChIInChI=1S/C8H6F3NO3/c1-4(13)12-6(14)2-5(7(12)15)3-8(9,10)11/h3H,2H2,1H3/b5-3-
InChIKeyVZSKWYIKJJEJSX-HYXAFXHYSA-N
MW221.13 g/mol
LogP0.78
Rot. Bonds

About (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione

(3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione (PubChem CID 155351084) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
PubChem CID155351084
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name(3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
SMILESCC(=O)N1C(=O)C/C(=C/C(F)(F)F)C1=O
InChIInChI=1S/C8H6F3NO3/c1-4(13)12-6(14)2-5(7(12)15)3-8(9,10)11/h3H,2H2,1H3/b5-3-
InChIKeyVZSKWYIKJJEJSX-HYXAFXHYSA-N
XLogP0.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione 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 (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione (CID 155351084) is (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione is CC(=O)N1C(=O)C/C(=C/C(F)(F)F)C1=O.
What is the InChIKey of (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
The InChIKey is VZSKWYIKJJEJSX-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-4(13)12-6(14)2-5(7(12)15)3-8(9,10)11/h3H,2H2,1H3/b5-3-.
What are the key properties of (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
(3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione has a molecular weight of 221.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-acetyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 155351084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).