2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine

C12H16F3N3O3 — CID 122142077

IUPAC2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
SMILESCOCC1CN(c2ccc(OCC(F)(F)F)nn2)CCO1
InChIInChI=1S/C12H16F3N3O3/c1-19-7-9-6-18(4-5-20-9)10-2-3-11(17-16-10)21-8-12(13,14)15/h2-3,9H,4-8H2,1H3
InChIKeyWCKZRMVSWJSQQT-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.27
Rot. Bonds5

About 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine

2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine (PubChem CID 122142077) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
PubChem CID122142077
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
SMILESCOCC1CN(c2ccc(OCC(F)(F)F)nn2)CCO1
InChIInChI=1S/C12H16F3N3O3/c1-19-7-9-6-18(4-5-20-9)10-2-3-11(17-16-10)21-8-12(13,14)15/h2-3,9H,4-8H2,1H3
InChIKeyWCKZRMVSWJSQQT-UHFFFAOYSA-N
XLogP1.27
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
The IUPAC name of 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine (CID 122142077) is 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
The canonical SMILES for 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine is COCC1CN(c2ccc(OCC(F)(F)F)nn2)CCO1.
What is the InChIKey of 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
The InChIKey is WCKZRMVSWJSQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-19-7-9-6-18(4-5-20-9)10-2-3-11(17-16-10)21-8-12(13,14)15/h2-3,9H,4-8H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine has a molecular weight of 307.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine is sourced from PubChem (CID 122142077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).