6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane

C12H21F3N2O — CID 64845807

IUPAC6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESFC(F)(F)COCCN1CCNCC12CCCC2
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)10-18-8-7-17-6-5-16-9-11(17)3-1-2-4-11/h16H,1-10H2
InChIKeyWTKGLLDLWRKCEQ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds4

About 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane

6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64845807) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64845807
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESFC(F)(F)COCCN1CCNCC12CCCC2
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)10-18-8-7-17-6-5-16-9-11(17)3-1-2-4-11/h16H,1-10H2
InChIKeyWTKGLLDLWRKCEQ-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.78
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 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64845807) is 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is FC(F)(F)COCCN1CCNCC12CCCC2.
What is the InChIKey of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is WTKGLLDLWRKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)10-18-8-7-17-6-5-16-9-11(17)3-1-2-4-11/h16H,1-10H2.
What are the key properties of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 266.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64845807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).