3-(2-fluoroethylamino)piperidine-2,6-dione

C7H11FN2O2 — CID 80694061

IUPAC3-(2-fluoroethylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCCF)C(=O)N1
InChIInChI=1S/C7H11FN2O2/c8-3-4-9-5-1-2-6(11)10-7(5)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeyIGTORPQOQBWQAA-UHFFFAOYSA-N
MW174.17 g/mol
LogP-0.65
Rot. Bonds3

About 3-(2-fluoroethylamino)piperidine-2,6-dione

3-(2-fluoroethylamino)piperidine-2,6-dione (PubChem CID 80694061) has the molecular formula C7H11FN2O2 and a molecular weight of 174.17 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoroethylamino)piperidine-2,6-dione
PubChem CID80694061
Molecular FormulaC7H11FN2O2
Molecular Weight174.17 g/mol
Exact Mass174.08
IUPAC Name3-(2-fluoroethylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCCF)C(=O)N1
InChIInChI=1S/C7H11FN2O2/c8-3-4-9-5-1-2-6(11)10-7(5)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeyIGTORPQOQBWQAA-UHFFFAOYSA-N
XLogP-0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-fluoroethylamino)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-(2-fluoroethylamino)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluoroethylamino)piperidine-2,6-dione (CID 80694061) is 3-(2-fluoroethylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoroethylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoroethylamino)piperidine-2,6-dione is O=C1CCC(NCCF)C(=O)N1.
What is the InChIKey of 3-(2-fluoroethylamino)piperidine-2,6-dione?
The InChIKey is IGTORPQOQBWQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O2/c8-3-4-9-5-1-2-6(11)10-7(5)12/h5,9H,1-4H2,(H,10,11,12).
What are the key properties of 3-(2-fluoroethylamino)piperidine-2,6-dione?
3-(2-fluoroethylamino)piperidine-2,6-dione has a molecular weight of 174.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)piperidine-2,6-dione is sourced from PubChem (CID 80694061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).