3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione

C12H12FNO2 — CID 167009603

IUPAC3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H12FNO2/c1-7-2-3-8(10(13)6-7)9-4-5-11(15)14-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,14,15,16)
InChIKeyFXPLTAWDIZIHJC-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.65
Rot. Bonds1

About 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione

3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione (PubChem CID 167009603) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
PubChem CID167009603
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H12FNO2/c1-7-2-3-8(10(13)6-7)9-4-5-11(15)14-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,14,15,16)
InChIKeyFXPLTAWDIZIHJC-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.65
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 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione (CID 167009603) is 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione is Cc1ccc(C2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
The InChIKey is FXPLTAWDIZIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7-2-3-8(10(13)6-7)9-4-5-11(15)14-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,14,15,16).
What are the key properties of 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione has a molecular weight of 221.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 167009603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).