3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione

C11H16F4N2O2 — CID 106290691

IUPAC3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C11H16F4N2O2/c1-5(2)7-8(18)16-6(3)9(19)17(7)4-11(14,15)10(12)13/h5-7,10H,4H2,1-3H3,(H,16,18)
InChIKeyQAFAPAUGDSSGRS-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.26
Rot. Bonds4

About 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione

3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione (PubChem CID 106290691) has the molecular formula C11H16F4N2O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
PubChem CID106290691
Molecular FormulaC11H16F4N2O2
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Name3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CC(F)(F)C(F)F)C1=O
InChIInChI=1S/C11H16F4N2O2/c1-5(2)7-8(18)16-6(3)9(19)17(7)4-11(14,15)10(12)13/h5-7,10H,4H2,1-3H3,(H,16,18)
InChIKeyQAFAPAUGDSSGRS-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)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-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
3-cyclopropyl-6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64886005
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970004
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
3-butan-2-yl-6-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290775
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440619
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64873494
1-(2-cyclopentyloxyethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64971200

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione (CID 106290691) is 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(CC(F)(F)C(F)F)C1=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
The InChIKey is QAFAPAUGDSSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O2/c1-5(2)7-8(18)16-6(3)9(19)17(7)4-11(14,15)10(12)13/h5-7,10H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione?
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione has a molecular weight of 284.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 106290691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).