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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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).