3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione

C6H7F2NO2 — CID 20593696

IUPAC3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1(F)C(=O)NC(=O)C1(C)F
InChIInChI=1S/C6H7F2NO2/c1-5(7)3(10)9-4(11)6(5,2)8/h1-2H3,(H,9,10,11)
InChIKeyZGJNLPTVXUSVHV-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.10
Rot. Bonds

About 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione

3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 20593696) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID20593696
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1(F)C(=O)NC(=O)C1(C)F
InChIInChI=1S/C6H7F2NO2/c1-5(7)3(10)9-4(11)6(5,2)8/h1-2H3,(H,9,10,11)
InChIKeyZGJNLPTVXUSVHV-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12681002
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ethane;3-fluoro-3-methylpyrrolidin-2-one
CID 164536225
5-fluoro-5-methylpyrimidine-2,4-dione
CID 4540465
(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium
CID 58760786
(1R,5S)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 6994319
3,3,4,4,5-pentafluoro-5-methyloxane-2,6-dione
CID 165100383
3,3-dimethylpiperazin-2-one;ethane
CID 91488380
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
2,2,3,3-tetrafluorocyclopropan-1-one
CID 175052799
3-methyl-3-(trifluoromethyl)azetidin-2-one
CID 10888110

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione (CID 20593696) is 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione is CC1(F)C(=O)NC(=O)C1(C)F.
What is the InChIKey of 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is ZGJNLPTVXUSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c1-5(7)3(10)9-4(11)6(5,2)8/h1-2H3,(H,9,10,11).
What are the key properties of 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione?
3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 163.12 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 20593696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).