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

C12H19F3N2O2 — CID 64886351

IUPAC3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-4-8-9(18)16-11(5-2,6-3)10(19)17(8)7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,18)
InChIKeyCDZPARXUBXGANT-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.84
Rot. Bonds4

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

3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 64886351) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID64886351
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-4-8-9(18)16-11(5-2,6-3)10(19)17(8)7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,18)
InChIKeyCDZPARXUBXGANT-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 64886351) is 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)(F)F.
What is the InChIKey of 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is CDZPARXUBXGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-4-8-9(18)16-11(5-2,6-3)10(19)17(8)7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 280.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).