3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane

C12H21F3N2O — CID 175984453

IUPAC3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane
SMILESFC(F)(F)OCCN1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)18-10-9-17-7-3-11(4-8-17)1-5-16-6-2-11/h16H,1-10H2
InChIKeyPKSZMVVTILVWQL-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.99
Rot. Bonds3

About 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane

3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 175984453) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane
PubChem CID175984453
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane
SMILESFC(F)(F)OCCN1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)18-10-9-17-7-3-11(4-8-17)1-5-16-6-2-11/h16H,1-10H2
InChIKeyPKSZMVVTILVWQL-UHFFFAOYSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane (CID 175984453) is 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane is FC(F)(F)OCCN1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is PKSZMVVTILVWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)18-10-9-17-7-3-11(4-8-17)1-5-16-6-2-11/h16H,1-10H2.
What are the key properties of 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane?
3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 266.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 175984453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).