3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione

C8H10F3NO2 — CID 155407493

IUPAC3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(C(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO2/c1-3-7(2)4-5(13)12(6(7)14)8(9,10)11/h3-4H2,1-2H3
InChIKeyGDUTVNZXPMYEDH-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.68
Rot. Bonds1

About 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione

3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 155407493) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID155407493
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(C(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO2/c1-3-7(2)4-5(13)12(6(7)14)8(9,10)11/h3-4H2,1-2H3
InChIKeyGDUTVNZXPMYEDH-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-methyl-1-(trifluoromethyl)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 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione (CID 155407493) is 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione is CCC1(C)CC(=O)N(C(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is GDUTVNZXPMYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-3-7(2)4-5(13)12(6(7)14)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 209.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(trifluoromethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 155407493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).