2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione

C13H15FN2O2 — CID 159512655

IUPAC2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione
SMILESO=C1CCC(F)C(=O)N1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.C5H6FNO2/c1-2-4-8-6-9-5-7(8)3-1;6-3-1-2-4(8)7-5(3)9/h1-4,9H,5-6H2;3H,1-2H2,(H,7,8,9)
InChIKeyMAUHALMMOMHFRA-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.05
Rot. Bonds

About 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione

2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione (PubChem CID 159512655) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione
PubChem CID159512655
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione
SMILESO=C1CCC(F)C(=O)N1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.C5H6FNO2/c1-2-4-8-6-9-5-7(8)3-1;6-3-1-2-4(8)7-5(3)9/h1-4,9H,5-6H2;3H,1-2H2,(H,7,8,9)
InChIKeyMAUHALMMOMHFRA-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.05
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 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione?
The IUPAC name of 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione (CID 159512655) is 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione.
What is the SMILES notation for 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione?
The canonical SMILES for 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione is O=C1CCC(F)C(=O)N1.c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione?
The InChIKey is MAUHALMMOMHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C5H6FNO2/c1-2-4-8-6-9-5-7(8)3-1;6-3-1-2-4(8)7-5(3)9/h1-4,9H,5-6H2;3H,1-2H2,(H,7,8,9).
What are the key properties of 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione?
2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione has a molecular weight of 250.27 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole;3-fluoropiperidine-2,6-dione is sourced from PubChem (CID 159512655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).