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

C8H8F3NO2 — CID 155645817

IUPAC(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C/C(=C/C(F)(F)F)C1=O
InChIInChI=1S/C8H8F3NO2/c1-2-12-6(13)3-5(7(12)14)4-8(9,10)11/h4H,2-3H2,1H3/b5-4-
InChIKeyVNFKRDBPYOWZSG-PLNGDYQASA-N
MW207.15 g/mol
LogP1.25
Rot. Bonds1

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

(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione (PubChem CID 155645817) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
PubChem CID155645817
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C/C(=C/C(F)(F)F)C1=O
InChIInChI=1S/C8H8F3NO2/c1-2-12-6(13)3-5(7(12)14)4-8(9,10)11/h4H,2-3H2,1H3/b5-4-
InChIKeyVNFKRDBPYOWZSG-PLNGDYQASA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-1-ethyl-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-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione (CID 155645817) is (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione is CCN1C(=O)C/C(=C/C(F)(F)F)C1=O.
What is the InChIKey of (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
The InChIKey is VNFKRDBPYOWZSG-PLNGDYQASA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-2-12-6(13)3-5(7(12)14)4-8(9,10)11/h4H,2-3H2,1H3/b5-4-.
What are the key properties of (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione?
(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione has a molecular weight of 207.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 155645817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).