3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione

C15H10FNO3 — CID 176508907

IUPAC3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
SMILESC#Cc1cc(F)c2c(C3CCC(=O)NC3=O)coc2c1
InChIInChI=1S/C15H10FNO3/c1-2-8-5-11(16)14-10(7-20-12(14)6-8)9-3-4-13(18)17-15(9)19/h1,5-7,9H,3-4H2,(H,17,18,19)
InChIKeySNKNLKLYBSKJAE-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.07
Rot. Bonds1

About 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione

3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione (PubChem CID 176508907) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
PubChem CID176508907
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
SMILESC#Cc1cc(F)c2c(C3CCC(=O)NC3=O)coc2c1
InChIInChI=1S/C15H10FNO3/c1-2-8-5-11(16)14-10(7-20-12(14)6-8)9-3-4-13(18)17-15(9)19/h1,5-7,9H,3-4H2,(H,17,18,19)
InChIKeySNKNLKLYBSKJAE-UHFFFAOYSA-N
XLogP2.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-ethynyl-7-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508906
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508886
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
buta-1,3-diene;3-(4,5-dimethylfuran-3-yl)piperidine-2,6-dione;ethane
CID 177240487
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
CID 170904716
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
CID 157308807
1-(5-ethynyl-7-fluoro-1-benzofuran-3-yl)-1,3-diazinane-2,4-dione
CID 176508915
(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione
CID 158104093
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione (CID 176508907) is 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione is C#Cc1cc(F)c2c(C3CCC(=O)NC3=O)coc2c1.
What is the InChIKey of 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione?
The InChIKey is SNKNLKLYBSKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-2-8-5-11(16)14-10(7-20-12(14)6-8)9-3-4-13(18)17-15(9)19/h1,5-7,9H,3-4H2,(H,17,18,19).
What are the key properties of 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione?
3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione has a molecular weight of 271.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethynyl-4-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 176508907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).