3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine

C8H9F3N2O2 — CID 123466446

IUPAC3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine
SMILESCOc1nnc(C)cc1OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5-3-6(7(14-2)13-12-5)15-4-8(9,10)11/h3H,4H2,1-2H3
InChIKeyREJZOALSOBXHGB-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.73
Rot. Bonds3

About 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine

3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine (PubChem CID 123466446) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine
PubChem CID123466446
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine
SMILESCOc1nnc(C)cc1OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5-3-6(7(14-2)13-12-5)15-4-8(9,10)11/h3H,4H2,1-2H3
InChIKeyREJZOALSOBXHGB-UHFFFAOYSA-N
XLogP1.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine?
The IUPAC name of 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine (CID 123466446) is 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine.
What is the SMILES notation for 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine?
The canonical SMILES for 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine is COc1nnc(C)cc1OCC(F)(F)F.
What is the InChIKey of 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine?
The InChIKey is REJZOALSOBXHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5-3-6(7(14-2)13-12-5)15-4-8(9,10)11/h3H,4H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine?
3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine has a molecular weight of 222.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridazine is sourced from PubChem (CID 123466446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).