3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione

C9H13F3N2O2 — CID 64902587

IUPAC3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O2/c1-3-6-8(16)14(4-9(10,11)12)5(2)7(15)13-6/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyWFAMZWDAUGIEOO-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.67
Rot. Bonds2

About 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 64902587) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID64902587
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O2/c1-3-6-8(16)14(4-9(10,11)12)5(2)7(15)13-6/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyWFAMZWDAUGIEOO-UHFFFAOYSA-N
XLogP0.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione
CID 64902972
3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733546
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
CID 106009140
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(1,4-dithian-2-ylmethyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 113489628

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 64902587) is 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is WFAMZWDAUGIEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-3-6-8(16)14(4-9(10,11)12)5(2)7(15)13-6/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 238.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).