1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione

C12H11F2NO2 — CID 2732328

IUPAC1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccc(F)cc2F)C(=O)C1
InChIInChI=1S/C12H11F2NO2/c1-7-4-11(16)15(12(17)5-7)10-3-2-8(13)6-9(10)14/h2-3,6-7H,4-5H2,1H3
InChIKeyAZZBPDLRDYEBGU-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.25
Rot. Bonds1

About 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione

1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione (PubChem CID 2732328) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
PubChem CID2732328
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccc(F)cc2F)C(=O)C1
InChIInChI=1S/C12H11F2NO2/c1-7-4-11(16)15(12(17)5-7)10-3-2-8(13)6-9(10)14/h2-3,6-7H,4-5H2,1H3
InChIKeyAZZBPDLRDYEBGU-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione (CID 2732328) is 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione is CC1CC(=O)N(c2ccc(F)cc2F)C(=O)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is AZZBPDLRDYEBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-7-4-11(16)15(12(17)5-7)10-3-2-8(13)6-9(10)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 239.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 2732328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).