9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H12BrFN2O3 — CID 107604995

IUPAC9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFN2O3/c15-8-4-3-5-9(16)10(8)18-12(20)14(6-1-2-7-14)11(19)17-13(18)21/h3-5H,1-2,6-7H2,(H,17,19,21)
InChIKeySDLWPOWINOZCHC-UHFFFAOYSA-N
MW355.16 g/mol
LogP2.73
Rot. Bonds1

About 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 107604995) has the molecular formula C14H12BrFN2O3 and a molecular weight of 355.16 g/mol. Its IUPAC name is 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID107604995
Molecular FormulaC14H12BrFN2O3
Molecular Weight355.16 g/mol
Exact Mass354.00
IUPAC Name9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFN2O3/c15-8-4-3-5-9(16)10(8)18-12(20)14(6-1-2-7-14)11(19)17-13(18)21/h3-5H,1-2,6-7H2,(H,17,19,21)
InChIKeySDLWPOWINOZCHC-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 52.73
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

9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948330
8-(2,4,6-tribromophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946615
1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
CID 107600944
8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946867
7-(3-bromo-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 104782111
9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115945669
9-(4-bromo-3-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946332
9-(3-bromo-4-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948201
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
9-(2,3-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946527
4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
CID 107603680

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 107604995) is 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is O=C1NC(=O)C2(CCCC2)C(=O)N1c1c(F)cccc1Br.
What is the InChIKey of 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is SDLWPOWINOZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3/c15-8-4-3-5-9(16)10(8)18-12(20)14(6-1-2-7-14)11(19)17-13(18)21/h3-5H,1-2,6-7H2,(H,17,19,21).
What are the key properties of 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 355.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 107604995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).