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

C13H19F3N2O3 — CID 64879382

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CCOCC(F)(F)F)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)9-21-7-6-18-8-10(19)17-12(11(18)20)4-2-1-3-5-12/h1-9H2,(H,17,19)
InChIKeyARTIMYOUPOKNSL-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.23
Rot. Bonds4

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

4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64879382) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64879382
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CCOCC(F)(F)F)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)9-21-7-6-18-8-10(19)17-12(11(18)20)4-2-1-3-5-12/h1-9H2,(H,17,19)
InChIKeyARTIMYOUPOKNSL-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64879382) is 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(CCOCC(F)(F)F)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is ARTIMYOUPOKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)9-21-7-6-18-8-10(19)17-12(11(18)20)4-2-1-3-5-12/h1-9H2,(H,17,19).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 308.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64879382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).