3-(2,5-difluoroanilino)piperidine-2,6-dione

C11H10F2N2O2 — CID 170749830

IUPAC3-(2,5-difluoroanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2cc(F)ccc2F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2/c12-6-1-2-7(13)9(5-6)14-8-3-4-10(16)15-11(8)17/h1-2,5,8,14H,3-4H2,(H,15,16,17)
InChIKeyXGIOYNQQHYJKSE-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.18
Rot. Bonds2

About 3-(2,5-difluoroanilino)piperidine-2,6-dione

3-(2,5-difluoroanilino)piperidine-2,6-dione (PubChem CID 170749830) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-(2,5-difluoroanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,5-difluoroanilino)piperidine-2,6-dione
PubChem CID170749830
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-(2,5-difluoroanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2cc(F)ccc2F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2/c12-6-1-2-7(13)9(5-6)14-8-3-4-10(16)15-11(8)17/h1-2,5,8,14H,3-4H2,(H,15,16,17)
InChIKeyXGIOYNQQHYJKSE-UHFFFAOYSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoroanilino)piperidine-2,6-dione?
The IUPAC name of 3-(2,5-difluoroanilino)piperidine-2,6-dione (CID 170749830) is 3-(2,5-difluoroanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,5-difluoroanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(2,5-difluoroanilino)piperidine-2,6-dione is O=C1CCC(Nc2cc(F)ccc2F)C(=O)N1.
What is the InChIKey of 3-(2,5-difluoroanilino)piperidine-2,6-dione?
The InChIKey is XGIOYNQQHYJKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-6-1-2-7(13)9(5-6)14-8-3-4-10(16)15-11(8)17/h1-2,5,8,14H,3-4H2,(H,15,16,17).
What are the key properties of 3-(2,5-difluoroanilino)piperidine-2,6-dione?
3-(2,5-difluoroanilino)piperidine-2,6-dione has a molecular weight of 240.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoroanilino)piperidine-2,6-dione is sourced from PubChem (CID 170749830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).