8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one

C16H19F3N2O3 — CID 66580135

IUPAC8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OCC(F)(F)F)nc2)CCC12CCC(O)CC2
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)10-24-13-2-1-11(9-20-13)21-8-7-15(14(21)23)5-3-12(22)4-6-15/h1-2,9,12,22H,3-8,10H2
InChIKeyUPLJPXWQDKNWSE-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.68
Rot. Bonds3

About 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one

8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 66580135) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
PubChem CID66580135
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OCC(F)(F)F)nc2)CCC12CCC(O)CC2
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)10-24-13-2-1-11(9-20-13)21-8-7-15(14(21)23)5-3-12(22)4-6-15/h1-2,9,12,22H,3-8,10H2
InChIKeyUPLJPXWQDKNWSE-UHFFFAOYSA-N
XLogP2.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one (CID 66580135) is 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(OCC(F)(F)F)nc2)CCC12CCC(O)CC2.
What is the InChIKey of 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is UPLJPXWQDKNWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)10-24-13-2-1-11(9-20-13)21-8-7-15(14(21)23)5-3-12(22)4-6-15/h1-2,9,12,22H,3-8,10H2.
What are the key properties of 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 344.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 66580135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).