3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane

C13H17FN2O — CID 135237387

IUPAC3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(C2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C13H17FN2O/c14-11-1-2-12(16-8-11)10-7-13(17-9-10)3-5-15-6-4-13/h1-2,8,10,15H,3-7,9H2
InChIKeyAIYVSGLPXYKNFE-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.85
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane

3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 135237387) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID135237387
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(C2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C13H17FN2O/c14-11-1-2-12(16-8-11)10-7-13(17-9-10)3-5-15-6-4-13/h1-2,8,10,15H,3-7,9H2
InChIKeyAIYVSGLPXYKNFE-UHFFFAOYSA-N
XLogP1.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane (CID 135237387) is 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(C2COC3(CCNCC3)C2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is AIYVSGLPXYKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-1-2-12(16-8-11)10-7-13(17-9-10)3-5-15-6-4-13/h1-2,8,10,15H,3-7,9H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane?
3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 236.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 135237387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).