4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C11H15F3N2O2 — CID 64879000

IUPAC4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CC(F)(F)F)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-16-6-8(17)15-10(9(16)18)4-2-1-3-5-10/h1-7H2,(H,15,17)
InChIKeyUSXWZKBLLIXAPA-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.21
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64879000) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64879000
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CC(F)(F)F)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-16-6-8(17)15-10(9(16)18)4-2-1-3-5-10/h1-7H2,(H,15,17)
InChIKeyUSXWZKBLLIXAPA-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64879000) is 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(CC(F)(F)F)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is USXWZKBLLIXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)7-16-6-8(17)15-10(9(16)18)4-2-1-3-5-10/h1-7H2,(H,15,17).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 264.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64879000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).