butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione

C16H21F2NO2 — CID 172617426

IUPACbutane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
SMILESCCCC.Cc1cc(F)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H11F2NO2.C4H10/c1-6-4-8(13)11(9(14)5-6)7-2-3-10(16)15-12(7)17;1-3-4-2/h4-5,7H,2-3H2,1H3,(H,15,16,17);3-4H2,1-2H3
InChIKeyPPZGYLMNHKJTDS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.60
Rot. Bonds2

About butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione

butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione (PubChem CID 172617426) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Namebutane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
PubChem CID172617426
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Namebutane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
SMILESCCCC.Cc1cc(F)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H11F2NO2.C4H10/c1-6-4-8(13)11(9(14)5-6)7-2-3-10(16)15-12(7)17;1-3-4-2/h4-5,7H,2-3H2,1H3,(H,15,16,17);3-4H2,1-2H3
InChIKeyPPZGYLMNHKJTDS-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.60
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

3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 170345682
ethyl 4-[[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
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
(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione
CID 172616956
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924

Frequently Asked Questions

What is the IUPAC name of butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione (CID 172617426) is butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione is CCCC.Cc1cc(F)c(C2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione?
The InChIKey is PPZGYLMNHKJTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2.C4H10/c1-6-4-8(13)11(9(14)5-6)7-2-3-10(16)15-12(7)17;1-3-4-2/h4-5,7H,2-3H2,1H3,(H,15,16,17);3-4H2,1-2H3.
What are the key properties of butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione?
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione has a molecular weight of 297.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 172617426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).