6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione

C12H11F3N2O2 — CID 64969761

IUPAC6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1cc(F)c(F)cc1F
InChIInChI=1S/C12H11F3N2O2/c1-2-9-12(19)16-5-11(18)17(9)10-4-7(14)6(13)3-8(10)15/h3-4,9H,2,5H2,1H3,(H,16,19)
InChIKeyPABJPQVFGDNOGN-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.35
Rot. Bonds2

About 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione

6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione (PubChem CID 64969761) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
PubChem CID64969761
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1cc(F)c(F)cc1F
InChIInChI=1S/C12H11F3N2O2/c1-2-9-12(19)16-5-11(18)17(9)10-4-7(14)6(13)3-8(10)15/h3-4,9H,2,5H2,1H3,(H,16,19)
InChIKeyPABJPQVFGDNOGN-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.35
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-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
CID 83081530
1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
CID 64962424
1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 82758495
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 64962294
1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957933
1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965226
1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64962250
1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
CID 64880826
1-(5-bromo-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961128
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64965324

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione (CID 64969761) is 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1c1cc(F)c(F)cc1F.
What is the InChIKey of 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
The InChIKey is PABJPQVFGDNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-9-12(19)16-5-11(18)17(9)10-4-7(14)6(13)3-8(10)15/h3-4,9H,2,5H2,1H3,(H,16,19).
What are the key properties of 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione has a molecular weight of 272.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64969761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).