4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione

C10H5F5N2O2 — CID 115565016

IUPAC4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2c(F)c(F)c(F)c(F)c2F)CC(=O)N1
InChIInChI=1S/C10H5F5N2O2/c11-5-6(12)8(14)10(9(15)7(5)13)17-1-3(18)16-4(19)2-17/h1-2H2,(H,16,18,19)
InChIKeyZRZRBRCSXCUKCL-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.84
Rot. Bonds1

About 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione

4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione (PubChem CID 115565016) has the molecular formula C10H5F5N2O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione
PubChem CID115565016
Molecular FormulaC10H5F5N2O2
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2c(F)c(F)c(F)c(F)c2F)CC(=O)N1
InChIInChI=1S/C10H5F5N2O2/c11-5-6(12)8(14)10(9(15)7(5)13)17-1-3(18)16-4(19)2-17/h1-2H2,(H,16,18,19)
InChIKeyZRZRBRCSXCUKCL-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
CID 107603680
4-(5-chloro-3-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 79727997
4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 66061645
4-(2-amino-3-fluorophenyl)piperazine-2,6-dione
CID 66082916
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
1-iodoimidazolidine-2,4-dione
CID 21443575
ethane;4-phenylpiperazine-2,6-dione
CID 142623304
2-(3,5-dioxopiperazin-1-yl)-6-fluorobenzonitrile
CID 79512638
4-(3,5-dioxopiperazin-1-yl)-3-fluorobenzoic acid
CID 66083166
4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazine-2,6-dione
CID 66084158
4-(3-fluoro-5-nitrophenyl)piperazine-2,6-dione
CID 80748576
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione (CID 115565016) is 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione is O=C1CN(c2c(F)c(F)c(F)c(F)c2F)CC(=O)N1.
What is the InChIKey of 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione?
The InChIKey is ZRZRBRCSXCUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O2/c11-5-6(12)8(14)10(9(15)7(5)13)17-1-3(18)16-4(19)2-17/h1-2H2,(H,16,18,19).
What are the key properties of 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione?
4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione has a molecular weight of 280.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 115565016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).