[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol

C15H18F3NO4 — CID 71257562

IUPAC[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(OC2CCC3(CC2)OCCO3)nc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO4/c16-15(17,18)12-7-10(9-20)8-13(19-12)23-11-1-3-14(4-2-11)21-5-6-22-14/h7-8,11,20H,1-6,9H2
InChIKeyALDVDGHPFODWHU-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.66
Rot. Bonds3

About [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol

[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 71257562) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID71257562
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(OC2CCC3(CC2)OCCO3)nc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO4/c16-15(17,18)12-7-10(9-20)8-13(19-12)23-11-1-3-14(4-2-11)21-5-6-22-14/h7-8,11,20H,1-6,9H2
InChIKeyALDVDGHPFODWHU-UHFFFAOYSA-N
XLogP2.66
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 71257562) is [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(OC2CCC3(CC2)OCCO3)nc(C(F)(F)F)c1.
What is the InChIKey of [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is ALDVDGHPFODWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4/c16-15(17,18)12-7-10(9-20)8-13(19-12)23-11-1-3-14(4-2-11)21-5-6-22-14/h7-8,11,20H,1-6,9H2.
What are the key properties of [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 333.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 71257562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).