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

C7H10FNO2 — CID 21049804

IUPAC3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1(C)F
InChIInChI=1S/C7H10FNO2/c1-4-5(10)9(3)6(11)7(4,2)8/h4H,1-3H3
InChIKeyOFNDOZGFQAMSIR-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.35
Rot. Bonds

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

3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione (PubChem CID 21049804) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione
PubChem CID21049804
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1(C)F
InChIInChI=1S/C7H10FNO2/c1-4-5(10)9(3)6(11)7(4,2)8/h4H,1-3H3
InChIKeyOFNDOZGFQAMSIR-UHFFFAOYSA-N
XLogP0.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.35
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-Isobutylpyrrolidine-2,5-dione
CID 236107
1,3,3-Trimethylpyrrolidine-2,5-dione
CID 12394576
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
The IUPAC name of 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione (CID 21049804) is 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione is CC1C(=O)N(C)C(=O)C1(C)F.
What is the InChIKey of 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
The InChIKey is OFNDOZGFQAMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c1-4-5(10)9(3)6(11)7(4,2)8/h4H,1-3H3.
What are the key properties of 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione?
3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione has a molecular weight of 159.16 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,3,4-trimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 21049804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).