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

C14H16FNO2 — CID 170184885

IUPAC3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
SMILESCC(C)c1cccc(C2CCC(=O)NC2=O)c1F
InChIInChI=1S/C14H16FNO2/c1-8(2)9-4-3-5-10(13(9)15)11-6-7-12(17)16-14(11)18/h3-5,8,11H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyHDNZBKVEPJXSLO-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.47
Rot. Bonds2

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

3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione (PubChem CID 170184885) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
PubChem CID170184885
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
SMILESCC(C)c1cccc(C2CCC(=O)NC2=O)c1F
InChIInChI=1S/C14H16FNO2/c1-8(2)9-4-3-5-10(13(9)15)11-6-7-12(17)16-14(11)18/h3-5,8,11H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyHDNZBKVEPJXSLO-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.47
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

ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
CID 176558861
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 170052287
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
3-[3-bromo-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 171846052
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
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
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione (CID 170184885) is 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione is CC(C)c1cccc(C2CCC(=O)NC2=O)c1F.
What is the InChIKey of 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione?
The InChIKey is HDNZBKVEPJXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8(2)9-4-3-5-10(13(9)15)11-6-7-12(17)16-14(11)18/h3-5,8,11H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione?
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione has a molecular weight of 249.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 170184885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).