7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C12H7BrF2N2O3 — CID 115948330

IUPAC7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H7BrF2N2O3/c13-5-3-6(14)8(7(15)4-5)17-10(19)12(1-2-12)9(18)16-11(17)20/h3-4H,1-2H2,(H,16,18,20)
InChIKeySFNNVGDMUTWBBP-UHFFFAOYSA-N
MW345.10 g/mol
LogP2.09
Rot. Bonds1

About 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115948330) has the molecular formula C12H7BrF2N2O3 and a molecular weight of 345.10 g/mol. Its IUPAC name is 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115948330
Molecular FormulaC12H7BrF2N2O3
Molecular Weight345.10 g/mol
Exact Mass343.96
IUPAC Name7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H7BrF2N2O3/c13-5-3-6(14)8(7(15)4-5)17-10(19)12(1-2-12)9(18)16-11(17)20/h3-4H,1-2H2,(H,16,18,20)
InChIKeySFNNVGDMUTWBBP-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 52.09
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

8-(2,4,6-tribromophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946615
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-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946867
7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284
7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599175
7-(3-chloro-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599086
7-(3-fluoro-4-nitrophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948970
9-(3-bromo-5-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107581180
7-(4-bromo-3-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598960
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948865

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115948330) is 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1c1c(F)cc(Br)cc1F.
What is the InChIKey of 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is SFNNVGDMUTWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O3/c13-5-3-6(14)8(7(15)4-5)17-10(19)12(1-2-12)9(18)16-11(17)20/h3-4H,1-2H2,(H,16,18,20).
What are the key properties of 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 345.10 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115948330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).