1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione

C12H11Cl2FN2O2 — CID 83081530

IUPAC1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H11Cl2FN2O2/c1-2-9-12(19)16-5-10(18)17(9)11-7(13)3-6(15)4-8(11)14/h3-4,9H,2,5H2,1H3,(H,16,19)
InChIKeyLEMTZAOEGVSMIV-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.37
Rot. Bonds2

About 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione

1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione (PubChem CID 83081530) has the molecular formula C12H11Cl2FN2O2 and a molecular weight of 305.14 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
PubChem CID83081530
Molecular FormulaC12H11Cl2FN2O2
Molecular Weight305.14 g/mol
Exact Mass304.02
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H11Cl2FN2O2/c1-2-9-12(19)16-5-10(18)17(9)11-7(13)3-6(15)4-8(11)14/h3-4,9H,2,5H2,1H3,(H,16,19)
InChIKeyLEMTZAOEGVSMIV-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969761
1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 107617399
1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
CID 64962424
1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 82758495
1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 64962294
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
CID 64880826
[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673891
4-(4-amino-2,6-dichlorophenyl)-3-ethylpiperazine-2,6-dione
CID 106890549
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 103050932
1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965226
1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64879110

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione (CID 83081530) is 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is LEMTZAOEGVSMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2O2/c1-2-9-12(19)16-5-10(18)17(9)11-7(13)3-6(15)4-8(11)14/h3-4,9H,2,5H2,1H3,(H,16,19).
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione?
1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 305.14 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 83081530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).