1-(2,2,2-trifluoroethyl)piperidine-2,4-dione

C7H8F3NO2 — CID 79516449

IUPAC1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
SMILESO=C1CCN(CC(F)(F)F)C(=O)C1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)4-11-2-1-5(12)3-6(11)13/h1-4H2
InChIKeyPBBHLBQXEVOWIR-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.74
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione

1-(2,2,2-trifluoroethyl)piperidine-2,4-dione (PubChem CID 79516449) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
PubChem CID79516449
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
SMILESO=C1CCN(CC(F)(F)F)C(=O)C1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)4-11-2-1-5(12)3-6(11)13/h1-4H2
InChIKeyPBBHLBQXEVOWIR-UHFFFAOYSA-N
XLogP0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione (CID 79516449) is 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione is O=C1CCN(CC(F)(F)F)C(=O)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione?
The InChIKey is PBBHLBQXEVOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)4-11-2-1-5(12)3-6(11)13/h1-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione?
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione has a molecular weight of 195.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-2,4-dione is sourced from PubChem (CID 79516449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).