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

C12H11F2NO2 — CID 63156404

IUPAC4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1(c2ccc(F)cc2F)CC(=O)NC(=O)C1
InChIInChI=1S/C12H11F2NO2/c1-12(5-10(16)15-11(17)6-12)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3,(H,15,16,17)
InChIKeyKKCKZQNUJAVJLT-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.66
Rot. Bonds1

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

4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione (PubChem CID 63156404) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
PubChem CID63156404
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1(c2ccc(F)cc2F)CC(=O)NC(=O)C1
InChIInChI=1S/C12H11F2NO2/c1-12(5-10(16)15-11(17)6-12)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3,(H,15,16,17)
InChIKeyKKCKZQNUJAVJLT-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione (CID 63156404) is 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione is CC1(c2ccc(F)cc2F)CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is KKCKZQNUJAVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-12(5-10(16)15-11(17)6-12)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione?
4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 239.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 63156404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).