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

C13H23F3N2O — CID 64847001

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)COCCN1CCNCC12CCCCC2
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)11-19-9-8-18-7-6-17-10-12(18)4-2-1-3-5-12/h17H,1-11H2
InChIKeyLOEIMQWNAOSIFJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds4

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

1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64847001) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64847001
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)COCCN1CCNCC12CCCCC2
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)11-19-9-8-18-7-6-17-10-12(18)4-2-1-3-5-12/h17H,1-11H2
InChIKeyLOEIMQWNAOSIFJ-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
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 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane (CID 64847001) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane is FC(F)(F)COCCN1CCNCC12CCCCC2.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is LOEIMQWNAOSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)11-19-9-8-18-7-6-17-10-12(18)4-2-1-3-5-12/h17H,1-11H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane?
1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64847001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).