3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione

C12H10F4N2O2 — CID 107646468

IUPAC3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(c2c(F)c(F)cc(F)c2F)C1=O
InChIInChI=1S/C12H10F4N2O2/c1-12(2)11(20)18(4-7(19)17-12)10-8(15)5(13)3-6(14)9(10)16/h3H,4H2,1-2H3,(H,17,19)
InChIKeyOCDHXYCHKQYBFK-UHFFFAOYSA-N
MW290.22 g/mol
LogP1.48
Rot. Bonds1

About 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione

3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione (PubChem CID 107646468) has the molecular formula C12H10F4N2O2 and a molecular weight of 290.22 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
PubChem CID107646468
Molecular FormulaC12H10F4N2O2
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Name3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(c2c(F)c(F)cc(F)c2F)C1=O
InChIInChI=1S/C12H10F4N2O2/c1-12(2)11(20)18(4-7(19)17-12)10-8(15)5(13)3-6(14)9(10)16/h3H,4H2,1-2H3,(H,17,19)
InChIKeyOCDHXYCHKQYBFK-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-4-fluorophenyl)-3,3-dimethylpiperazine-2,5-dione
CID 107580201
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960006
3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione
CID 64959294
3,3,6-trimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
CID 107646480
1-(2-bromo-4,6-difluorophenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64963254
1-(3,4-difluorophenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64957779
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64963383
1-[2-(3-fluorophenyl)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 64961037
1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 114251655
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
CID 107647388
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione (CID 107646468) is 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione is CC1(C)NC(=O)CN(c2c(F)c(F)cc(F)c2F)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione?
The InChIKey is OCDHXYCHKQYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2/c1-12(2)11(20)18(4-7(19)17-12)10-8(15)5(13)3-6(14)9(10)16/h3H,4H2,1-2H3,(H,17,19).
What are the key properties of 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione?
3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione has a molecular weight of 290.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 107646468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).