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

C9H11F4N3O2 — CID 135257155

IUPAC6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(NC(=O)NC2=O)C(F)(C(F)(F)F)C1
InChIInChI=1S/C9H11F4N3O2/c1-16-3-2-7(5(17)14-6(18)15-7)8(10,4-16)9(11,12)13/h2-4H2,1H3,(H2,14,15,17,18)
InChIKeySFJGLCJJQNWGCX-UHFFFAOYSA-N
MW269.20 g/mol
LogP0.17
Rot. Bonds

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

6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135257155) has the molecular formula C9H11F4N3O2 and a molecular weight of 269.20 g/mol. Its IUPAC name is 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135257155
Molecular FormulaC9H11F4N3O2
Molecular Weight269.20 g/mol
Exact Mass269.08
IUPAC Name6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(NC(=O)NC2=O)C(F)(C(F)(F)F)C1
InChIInChI=1S/C9H11F4N3O2/c1-16-3-2-7(5(17)14-6(18)15-7)8(10,4-16)9(11,12)13/h2-4H2,1H3,(H2,14,15,17,18)
InChIKeySFJGLCJJQNWGCX-UHFFFAOYSA-N
XLogP0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 50.17
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 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135257155) is 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(NC(=O)NC2=O)C(F)(C(F)(F)F)C1.
What is the InChIKey of 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SFJGLCJJQNWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O2/c1-16-3-2-7(5(17)14-6(18)15-7)8(10,4-16)9(11,12)13/h2-4H2,1H3,(H2,14,15,17,18).
What are the key properties of 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 269.20 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135257155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).