3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione

C7H9F2NO2 — CID 20593694

IUPAC3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESCN1C(=O)C(C)(F)C(C)(F)C1=O
InChIInChI=1S/C7H9F2NO2/c1-6(8)4(11)10(3)5(12)7(6,2)9/h1-3H3
InChIKeyVGLXZOYEZDXJQG-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.44
Rot. Bonds

About 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione

3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione (PubChem CID 20593694) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione
PubChem CID20593694
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESCN1C(=O)C(C)(F)C(C)(F)C1=O
InChIInChI=1S/C7H9F2NO2/c1-6(8)4(11)10(3)5(12)7(6,2)9/h1-3H3
InChIKeyVGLXZOYEZDXJQG-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.44
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

1,3-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
1,3,3-Trimethylpyrrolidine-2,5-dione
CID 12394576
1-Ethyl-3-methylpyrrolidine-2,5-dione
CID 12400394
(3R,4S)-1,3,4-trimethylpyrrolidine-2,5-dione
CID 58738334
3,4-Dimethyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
CID 18336295
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
3-Fluoro-1,3,4-trimethylpyrrolidine-2,5-dione
CID 21049804
1-(Difluoromethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 57711948
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 58741643

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione (CID 20593694) is 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione is CN1C(=O)C(C)(F)C(C)(F)C1=O.
What is the InChIKey of 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
The InChIKey is VGLXZOYEZDXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2/c1-6(8)4(11)10(3)5(12)7(6,2)9/h1-3H3.
What are the key properties of 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione has a molecular weight of 177.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1,3,4-trimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 20593694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).