3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

C11H17F3N2O2 — CID 64902187

IUPAC3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O2/c1-9(2)8(18)16(6-5-11(12,13)14)10(3,4)7(17)15-9/h5-6H2,1-4H3,(H,15,17)
InChIKeyXLAWFTNYPWZFTH-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.45
Rot. Bonds2

About 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64902187) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64902187
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O2/c1-9(2)8(18)16(6-5-11(12,13)14)10(3,4)7(17)15-9/h5-6H2,1-4H3,(H,15,17)
InChIKeyXLAWFTNYPWZFTH-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885733
3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901227
3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627644
3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887514
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168
5,5-dimethyl-1-(3,3,3-trifluoropropyl)-1,3-diazinane-2,4,6-trione
CID 112600572
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
CID 64901606
8-ethyl-8-methyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64884941
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
3,3-dimethyl-6-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519251
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64902187) is 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CC1(C)NC(=O)C(C)(C)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is XLAWFTNYPWZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-9(2)8(18)16(6-5-11(12,13)14)10(3,4)7(17)15-9/h5-6H2,1-4H3,(H,15,17).
What are the key properties of 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 266.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).