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

C13H14FNO2 — CID 170979047

IUPAC3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
SMILESCc1cc(C)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C13H14FNO2/c1-7-5-8(2)12(10(14)6-7)9-3-4-11(16)15-13(9)17/h5-6,9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyJMDYSXJRVODAAB-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.96
Rot. Bonds1

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

3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione (PubChem CID 170979047) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
PubChem CID170979047
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
SMILESCc1cc(C)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C13H14FNO2/c1-7-5-8(2)12(10(14)6-7)9-3-4-11(16)15-13(9)17/h5-6,9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyJMDYSXJRVODAAB-UHFFFAOYSA-N
XLogP1.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 170345682
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione
CID 176559595
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
3-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluoro-N-methylanilino]cyclobutane-1-carboxylic acid
CID 167264569
3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541033

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione (CID 170979047) is 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione is Cc1cc(C)c(C2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione?
The InChIKey is JMDYSXJRVODAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-7-5-8(2)12(10(14)6-7)9-3-4-11(16)15-13(9)17/h5-6,9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione?
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione has a molecular weight of 235.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 170979047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).