1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione

C8H10F3NO2 — CID 20813313

IUPAC1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1(C)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-4-5(13)12(3)6(14)7(4,2)8(9,10)11/h4H,1-3H3
InChIKeyPSBVNJGOWQJARC-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.19
Rot. Bonds

About 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione

1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 20813313) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID20813313
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1(C)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-4-5(13)12(3)6(14)7(4,2)8(9,10)11/h4H,1-3H3
InChIKeyPSBVNJGOWQJARC-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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'}

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Related Compounds

1-(1-Fluoro-2-methylpropyl)pyrrolidine-2,5-dione
CID 122380876
1-(1-Fluoro-2,2-dimethylpropyl)pyrrolidine-2,5-dione
CID 122380879
1,3,3-Trimethylpyrrolidine-2,5-dione
CID 12394576
(3R,4S)-1,3,4-trimethylpyrrolidine-2,5-dione
CID 58738334
(2S)-1-(3,3-dimethylpyrrolidin-1-yl)-4,4-difluoro-2-methylbutan-1-one
CID 129348696
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-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
CID 21049780
3-Fluoro-1,3,4-trimethylpyrrolidine-2,5-dione
CID 21049804
1-(Difluoromethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 57711948
1-(2-Hydroxyethyl)-3,4-dimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 58590250
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 58741643

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione (CID 20813313) is 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione is CC1C(=O)N(C)C(=O)C1(C)C(F)(F)F.
What is the InChIKey of 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is PSBVNJGOWQJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-4-5(13)12(3)6(14)7(4,2)8(9,10)11/h4H,1-3H3.
What are the key properties of 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 209.17 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 20813313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).