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

C14H18FNO2 — CID 176684006

IUPACethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
SMILESCC.Cc1ccc(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H12FNO2.C2H6/c1-7-2-3-8(10(13)6-7)9-4-5-11(15)14-12(9)16;1-2/h2-3,6,9H,4-5H2,1H3,(H,14,15,16);1-2H3
InChIKeyMOPCDWRCYNAFPM-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.68
Rot. Bonds1

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

ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione (PubChem CID 176684006) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
PubChem CID176684006
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
SMILESCC.Cc1ccc(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H12FNO2.C2H6/c1-7-2-3-8(10(13)6-7)9-4-5-11(15)14-12(9)16;1-2/h2-3,6,9H,4-5H2,1H3,(H,14,15,16);1-2H3
InChIKeyMOPCDWRCYNAFPM-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-(2-fluoro-4-methylphenyl)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

Related Compounds

3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide
CID 154202178
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]piperidine-2,6-dione
CID 168874469
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
CID 168874545

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione (CID 176684006) is ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione is CC.Cc1ccc(C2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
The InChIKey is MOPCDWRCYNAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2.C2H6/c1-7-2-3-8(10(13)6-7)9-4-5-11(15)14-12(9)16;1-2/h2-3,6,9H,4-5H2,1H3,(H,14,15,16);1-2H3.
What are the key properties of ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione?
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione has a molecular weight of 251.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 176684006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).