3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione

C8H10F3NO2 — CID 58741643

IUPAC3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(F)(F)F)C(=O)C1C
InChIInChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyOHMDIKHUKFIDMN-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.19
Rot. Bonds1

About 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione

3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (PubChem CID 58741643) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
PubChem CID58741643
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(F)(F)F)C(=O)C1C
InChIInChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyOHMDIKHUKFIDMN-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-1-(2,2,2-trifluoroethyl)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

Related Compounds

1,3-Dimethylpyrrolidine-2,5-dione
CID 85866
1-(1-Fluoro-2-methylpropyl)pyrrolidine-2,5-dione
CID 122380876
1-(1-Fluoro-2,2-dimethylpropyl)pyrrolidine-2,5-dione
CID 122380879
1-Isobutylpyrrolidine-2,5-dione
CID 236107
1-Ethyl-3-methylpyrrolidine-2,5-dione
CID 12400394
1-Butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
3-Methyl-1-propylpyrrolidine-2,5-dione
CID 20696287
(3R,4S)-1,3,4-trimethylpyrrolidine-2,5-dione
CID 58738334
3,4-Dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
CID 18336295
3,4-Difluoro-1,3,4-trimethylpyrrolidine-2,5-dione
CID 20593694
1,3,4-Trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 20813313
1,3,4-Trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
CID 21049780

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (CID 58741643) is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is CC1C(=O)N(CC(F)(F)F)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The InChIKey is OHMDIKHUKFIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione has a molecular weight of 209.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58741643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).