3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione

C14H15ClFNO2 — CID 176558861

IUPAC3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
SMILESCC(C)c1cc(F)c(Cl)c(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C14H15ClFNO2/c1-7(2)8-5-10(13(15)11(16)6-8)9-3-4-12(18)17-14(9)19/h5-7,9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyCKKBGROZUUIPFP-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.12
Rot. Bonds2

About 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione

3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione (PubChem CID 176558861) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
PubChem CID176558861
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
SMILESCC(C)c1cc(F)c(Cl)c(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C14H15ClFNO2/c1-7(2)8-5-10(13(15)11(16)6-8)9-3-4-12(18)17-14(9)19/h5-7,9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyCKKBGROZUUIPFP-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.12
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-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 170052287
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione
CID 166472131
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
CID 171541392
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
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione (CID 176558861) is 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione is CC(C)c1cc(F)c(Cl)c(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione?
The InChIKey is CKKBGROZUUIPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-7(2)8-5-10(13(15)11(16)6-8)9-3-4-12(18)17-14(9)19/h5-7,9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione?
3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione has a molecular weight of 283.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 176558861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).