8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C13H10BrFN2O3 — CID 115946867

IUPAC8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN2O3/c14-7-2-3-8(15)9(6-7)17-11(19)13(4-1-5-13)10(18)16-12(17)20/h2-3,6H,1,4-5H2,(H,16,18,20)
InChIKeyIQYXIPQJLROHNM-UHFFFAOYSA-N
MW341.14 g/mol
LogP2.34
Rot. Bonds1

About 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115946867) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115946867
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Name8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN2O3/c14-7-2-3-8(15)9(6-7)17-11(19)13(4-1-5-13)10(18)16-12(17)20/h2-3,6H,1,4-5H2,(H,16,18,20)
InChIKeyIQYXIPQJLROHNM-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284
8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948865
7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599175
8-(2,4,6-tribromophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946615
7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948330
7-(3-bromo-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 104782111
9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107604995
8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598235
8-(3-bromo-4-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948707
8-(3-bromo-4-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948202
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
7-(3-chloro-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599086

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115946867) is 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1c1cc(Br)ccc1F.
What is the InChIKey of 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is IQYXIPQJLROHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c14-7-2-3-8(15)9(6-7)17-11(19)13(4-1-5-13)10(18)16-12(17)20/h2-3,6H,1,4-5H2,(H,16,18,20).
What are the key properties of 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 341.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115946867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).