1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one

C13H13F2N3O — CID 118209138

IUPAC1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESO=C1N=CN(c2ccc(F)cc2F)C12CCNCC2
InChIInChI=1S/C13H13F2N3O/c14-9-1-2-11(10(15)7-9)18-8-17-12(19)13(18)3-5-16-6-4-13/h1-2,7-8,16H,3-6H2
InChIKeyPYCUYJCPPQISOO-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.46
Rot. Bonds1

About 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one

1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one (PubChem CID 118209138) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
PubChem CID118209138
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESO=C1N=CN(c2ccc(F)cc2F)C12CCNCC2
InChIInChI=1S/C13H13F2N3O/c14-9-1-2-11(10(15)7-9)18-8-17-12(19)13(18)3-5-16-6-4-13/h1-2,7-8,16H,3-6H2
InChIKeyPYCUYJCPPQISOO-UHFFFAOYSA-N
XLogP1.46
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one;hydrochloride
CID 21268363
2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120966726
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192
1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 166361378
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
5-cyclohexyl-3-(2,4-difluorophenyl)imidazolidine-2,4-dione
CID 61016880
1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83660511
1-ethylsulfonyl-5-fluorospiro[2H-indole-3,4'-piperidine]
CID 18004971
4-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]triazol-4-yl]azepan-4-ol
CID 167749528
2-(2,4-difluorophenyl)-4H-1,2,4-triazol-3-one
CID 137200433
3-(2,4-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 61265928

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one (CID 118209138) is 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one is O=C1N=CN(c2ccc(F)cc2F)C12CCNCC2.
What is the InChIKey of 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The InChIKey is PYCUYJCPPQISOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-9-1-2-11(10(15)7-9)18-8-17-12(19)13(18)3-5-16-6-4-13/h1-2,7-8,16H,3-6H2.
What are the key properties of 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one has a molecular weight of 265.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 118209138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).