3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione

C10H14F3NO2 — CID 155653850

IUPAC3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione
SMILESCCC1(C)CCC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3NO2/c1-3-9(2)5-4-7(15)14(8(9)16)6-10(11,12)13/h3-6H2,1-2H3
InChIKeyNUSMAKHHVFMLNO-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.11
Rot. Bonds2

About 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione

3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione (PubChem CID 155653850) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione
PubChem CID155653850
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione
SMILESCCC1(C)CCC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3NO2/c1-3-9(2)5-4-7(15)14(8(9)16)6-10(11,12)13/h3-6H2,1-2H3
InChIKeyNUSMAKHHVFMLNO-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione (CID 155653850) is 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione is CCC1(C)CCC(=O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione?
The InChIKey is NUSMAKHHVFMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-3-9(2)5-4-7(15)14(8(9)16)6-10(11,12)13/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione?
3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione has a molecular weight of 237.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2,2,2-trifluoroethyl)piperidine-2,6-dione is sourced from PubChem (CID 155653850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).