8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C13H9Cl2FN2O3 — CID 115949008

IUPAC8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O3/c14-7-4-6(16)5-8(15)9(7)18-11(20)13(2-1-3-13)10(19)17-12(18)21/h4-5H,1-3H2,(H,17,19,21)
InChIKeyPRSGXAHKLUPHQU-UHFFFAOYSA-N
MW331.13 g/mol
LogP2.89
Rot. Bonds1

About 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115949008) has the molecular formula C13H9Cl2FN2O3 and a molecular weight of 331.13 g/mol. Its IUPAC name is 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115949008
Molecular FormulaC13H9Cl2FN2O3
Molecular Weight331.13 g/mol
Exact Mass330.00
IUPAC Name8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O3/c14-7-4-6(16)5-8(15)9(7)18-11(20)13(2-1-3-13)10(19)17-12(18)21/h4-5H,1-3H2,(H,17,19,21)
InChIKeyPRSGXAHKLUPHQU-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115949008) is 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is PRSGXAHKLUPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O3/c14-7-4-6(16)5-8(15)9(7)18-11(20)13(2-1-3-13)10(19)17-12(18)21/h4-5H,1-3H2,(H,17,19,21).
What are the key properties of 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 331.13 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115949008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).