8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C9H12F3N3O2 — CID 135257166

IUPAC8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(NC(=O)NC2=O)C(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O2/c1-15-3-2-8(5(4-15)9(10,11)12)6(16)13-7(17)14-8/h5H,2-4H2,1H3,(H2,13,14,16,17)
InChIKeyGRHUGPGMLPZLFY-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.08
Rot. Bonds

About 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135257166) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135257166
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(NC(=O)NC2=O)C(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3O2/c1-15-3-2-8(5(4-15)9(10,11)12)6(16)13-7(17)14-8/h5H,2-4H2,1H3,(H2,13,14,16,17)
InChIKeyGRHUGPGMLPZLFY-UHFFFAOYSA-N
XLogP0.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135257166) is 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(NC(=O)NC2=O)C(C(F)(F)F)C1.
What is the InChIKey of 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GRHUGPGMLPZLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-15-3-2-8(5(4-15)9(10,11)12)6(16)13-7(17)14-8/h5H,2-4H2,1H3,(H2,13,14,16,17).
What are the key properties of 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 251.21 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135257166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).