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

C7H8F3NO2 — CID 18336295

IUPAC3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C(F)(F)F)C(=O)C1C
InChIInChI=1S/C7H8F3NO2/c1-3-4(2)6(13)11(5(3)12)7(8,9)10/h3-4H,1-2H3
InChIKeyBGMQLEYYGDTEKT-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.15
Rot. Bonds

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

3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 18336295) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID18336295
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C(F)(F)F)C(=O)C1C
InChIInChI=1S/C7H8F3NO2/c1-3-4(2)6(13)11(5(3)12)7(8,9)10/h3-4H,1-2H3
InChIKeyBGMQLEYYGDTEKT-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione (CID 18336295) is 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione is CC1C(=O)N(C(F)(F)F)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is BGMQLEYYGDTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3-4(2)6(13)11(5(3)12)7(8,9)10/h3-4H,1-2H3.
What are the key properties of 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione?
3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 195.14 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18336295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).