3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine

C12H9F3N2O2 — CID 68893389

IUPAC3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine
SMILESCc1ccc(Oc2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C12H9F3N2O2/c1-8-2-7-11(17-16-8)18-9-3-5-10(6-4-9)19-12(13,14)15/h2-7H,1H3
InChIKeyJEFLDBCLKUEZKA-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.48
Rot. Bonds3

About 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine

3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine (PubChem CID 68893389) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine
PubChem CID68893389
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine
SMILESCc1ccc(Oc2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C12H9F3N2O2/c1-8-2-7-11(17-16-8)18-9-3-5-10(6-4-9)19-12(13,14)15/h2-7H,1H3
InChIKeyJEFLDBCLKUEZKA-UHFFFAOYSA-N
XLogP3.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine?
The IUPAC name of 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine (CID 68893389) is 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine?
The canonical SMILES for 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine is Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)nn1.
What is the InChIKey of 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine?
The InChIKey is JEFLDBCLKUEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-8-2-7-11(17-16-8)18-9-3-5-10(6-4-9)19-12(13,14)15/h2-7H,1H3.
What are the key properties of 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine?
3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine has a molecular weight of 270.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(trifluoromethoxy)phenoxy]pyridazine is sourced from PubChem (CID 68893389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).