1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione

C7H10F2N2O2 — CID 126992728

IUPAC1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione
SMILESCN1CC(=O)N(CC(F)F)C(=O)C1
InChIInChI=1S/C7H10F2N2O2/c1-10-3-6(12)11(2-5(8)9)7(13)4-10/h5H,2-4H2,1H3
InChIKeyFLFGNBQJQDRWTE-UHFFFAOYSA-N
MW192.16 g/mol
LogP-0.45
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione

1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione (PubChem CID 126992728) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione
PubChem CID126992728
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione
SMILESCN1CC(=O)N(CC(F)F)C(=O)C1
InChIInChI=1S/C7H10F2N2O2/c1-10-3-6(12)11(2-5(8)9)7(13)4-10/h5H,2-4H2,1H3
InChIKeyFLFGNBQJQDRWTE-UHFFFAOYSA-N
XLogP-0.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 86794486
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
1-(2,2-difluoroethyl)-4-methylpiperazine
CID 76646739
1-(2,2-difluoroethyl)-4-sulfanylpyrrolidin-2-one
CID 168709258
3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione
CID 43212312
1-(2,2-difluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540075
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
1-(2-ethylbutyl)piperazine-2,6-dione
CID 82929590
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
CID 30813187

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione (CID 126992728) is 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione is CN1CC(=O)N(CC(F)F)C(=O)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione?
The InChIKey is FLFGNBQJQDRWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c1-10-3-6(12)11(2-5(8)9)7(13)4-10/h5H,2-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione?
1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione has a molecular weight of 192.16 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylpiperazine-2,6-dione is sourced from PubChem (CID 126992728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).