3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione

C14H11F3N2O3 — CID 71518077

IUPAC3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(C(F)(F)F)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)8-3-1-2-7-6-19(13(22)11(7)8)9-4-5-10(20)18-12(9)21/h1-3,9H,4-6H2,(H,18,20,21)
InChIKeyXWANEXWEKJHWBZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.47
Rot. Bonds1

About 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 71518077) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID71518077
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(C(F)(F)F)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)8-3-1-2-7-6-19(13(22)11(7)8)9-4-5-10(20)18-12(9)21/h1-3,9H,4-6H2,(H,18,20,21)
InChIKeyXWANEXWEKJHWBZ-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]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-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 71518077) is 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(C(F)(F)F)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is XWANEXWEKJHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c15-14(16,17)8-3-1-2-7-6-19(13(22)11(7)8)9-4-5-10(20)18-12(9)21/h1-3,9H,4-6H2,(H,18,20,21).
What are the key properties of 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 312.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 71518077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).