4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane

C16H23FN2O2 — CID 129019090

IUPAC4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane
SMILESCCOC1CC(c2cncc(F)c2)OC2(CCNCC2)C1
InChIInChI=1S/C16H23FN2O2/c1-2-20-14-8-15(12-7-13(17)11-19-10-12)21-16(9-14)3-5-18-6-4-16/h7,10-11,14-15,18H,2-6,8-9H2,1H3
InChIKeyWXTWYWZLHMWAAT-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.60
Rot. Bonds3

About 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane

4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 129019090) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane
PubChem CID129019090
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane
SMILESCCOC1CC(c2cncc(F)c2)OC2(CCNCC2)C1
InChIInChI=1S/C16H23FN2O2/c1-2-20-14-8-15(12-7-13(17)11-19-10-12)21-16(9-14)3-5-18-6-4-16/h7,10-11,14-15,18H,2-6,8-9H2,1H3
InChIKeyWXTWYWZLHMWAAT-UHFFFAOYSA-N
XLogP2.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane (CID 129019090) is 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane is CCOC1CC(c2cncc(F)c2)OC2(CCNCC2)C1.
What is the InChIKey of 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is WXTWYWZLHMWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-20-14-8-15(12-7-13(17)11-19-10-12)21-16(9-14)3-5-18-6-4-16/h7,10-11,14-15,18H,2-6,8-9H2,1H3.
What are the key properties of 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane?
4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 294.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 129019090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).