5-(3,3,3-trifluoropropyl)piperidine-2,4-dione

C8H10F3NO2 — CID 25193828

IUPAC5-(3,3,3-trifluoropropyl)piperidine-2,4-dione
SMILESO=C1CC(=O)C(CCC(F)(F)F)CN1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)2-1-5-4-12-7(14)3-6(5)13/h5H,1-4H2,(H,12,14)
InChIKeyMKKTWJSCERFMAN-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.03
Rot. Bonds2

About 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione

5-(3,3,3-trifluoropropyl)piperidine-2,4-dione (PubChem CID 25193828) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropyl)piperidine-2,4-dione
PubChem CID25193828
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name5-(3,3,3-trifluoropropyl)piperidine-2,4-dione
SMILESO=C1CC(=O)C(CCC(F)(F)F)CN1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)2-1-5-4-12-7(14)3-6(5)13/h5H,1-4H2,(H,12,14)
InChIKeyMKKTWJSCERFMAN-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3,3,3-trifluoropropyl)piperidine-2,4-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 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione?
The IUPAC name of 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione (CID 25193828) is 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione.
What is the SMILES notation for 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione?
The canonical SMILES for 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione is O=C1CC(=O)C(CCC(F)(F)F)CN1.
What is the InChIKey of 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione?
The InChIKey is MKKTWJSCERFMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)2-1-5-4-12-7(14)3-6(5)13/h5H,1-4H2,(H,12,14).
What are the key properties of 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione?
5-(3,3,3-trifluoropropyl)piperidine-2,4-dione has a molecular weight of 209.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropyl)piperidine-2,4-dione is sourced from PubChem (CID 25193828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).