7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane

C13H15F3N2O2 — CID 133493400

IUPAC7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)Oc1ccc(N2CCC3(CCOC3)C2)nc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-1-2-11(17-7-10)18-5-3-12(8-18)4-6-19-9-12/h1-2,7H,3-6,8-9H2
InChIKeyKDXPKIMXXCFWJE-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.60
Rot. Bonds2

About 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane

7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 133493400) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID133493400
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)Oc1ccc(N2CCC3(CCOC3)C2)nc1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-1-2-11(17-7-10)18-5-3-12(8-18)4-6-19-9-12/h1-2,7H,3-6,8-9H2
InChIKeyKDXPKIMXXCFWJE-UHFFFAOYSA-N
XLogP2.60
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane (CID 133493400) is 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane is FC(F)(F)Oc1ccc(N2CCC3(CCOC3)C2)nc1.
What is the InChIKey of 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is KDXPKIMXXCFWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-1-2-11(17-7-10)18-5-3-12(8-18)4-6-19-9-12/h1-2,7H,3-6,8-9H2.
What are the key properties of 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane?
7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 288.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 133493400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).