3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione

C12H19F3N2O3 — CID 64901227

IUPAC3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O3/c1-10(2)9(19)17(11(3,4)8(18)16-10)5-6-20-7-12(13,14)15/h5-7H2,1-4H3,(H,16,18)
InChIKeyKZKZKIPMTBNPEA-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.08
Rot. Bonds4

About 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione

3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione (PubChem CID 64901227) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
PubChem CID64901227
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O3/c1-10(2)9(19)17(11(3,4)8(18)16-10)5-6-20-7-12(13,14)15/h5-7H2,1-4H3,(H,16,18)
InChIKeyKZKZKIPMTBNPEA-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187
3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627644
3,3-dimethyl-6-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901967
5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83263391
6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
CID 64901611
6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64901049
3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
9-(2-ethoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887448
5,5-dimethyl-1-(2-propoxyethyl)imidazolidine-2,4-dione
CID 106458142
3,6-diethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64887766
3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885733
1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55240533

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione (CID 64901227) is 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione is CC1(C)NC(=O)C(C)(C)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The InChIKey is KZKZKIPMTBNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-10(2)9(19)17(11(3,4)8(18)16-10)5-6-20-7-12(13,14)15/h5-7H2,1-4H3,(H,16,18).
What are the key properties of 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione has a molecular weight of 296.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64901227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).