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

C12H19F3N2O2 — CID 115522526

IUPAC3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O2/c1-3-11(2)10(19)17(8-9(18)16-11)7-5-4-6-12(13,14)15/h3-8H2,1-2H3,(H,16,18)
InChIKeySYAOHVQQRVKQIX-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.85
Rot. Bonds5

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

3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione (PubChem CID 115522526) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
PubChem CID115522526
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O2/c1-3-11(2)10(19)17(8-9(18)16-11)7-5-4-6-12(13,14)15/h3-8H2,1-2H3,(H,16,18)
InChIKeySYAOHVQQRVKQIX-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione (CID 115522526) is 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(CCCCC(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
The InChIKey is SYAOHVQQRVKQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-3-11(2)10(19)17(8-9(18)16-11)7-5-4-6-12(13,14)15/h3-8H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione has a molecular weight of 280.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione is sourced from PubChem (CID 115522526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).