4-(2,2,2-trifluoroethoxy)pyridazine

C6H5F3N2O — CID 151422416

IUPAC4-(2,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)(F)COc1ccnnc1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-12-5-1-2-10-11-3-5/h1-3H,4H2
InChIKeyPAUZNSKITVTTIC-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.42
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)pyridazine

4-(2,2,2-trifluoroethoxy)pyridazine (PubChem CID 151422416) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)pyridazine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)pyridazine
PubChem CID151422416
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name4-(2,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)(F)COc1ccnnc1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-12-5-1-2-10-11-3-5/h1-3H,4H2
InChIKeyPAUZNSKITVTTIC-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,2,2-trifluoroethoxy)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 4-(2,2,2-trifluoroethoxy)pyridazine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)pyridazine (CID 151422416) is 4-(2,2,2-trifluoroethoxy)pyridazine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)pyridazine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)pyridazine is FC(F)(F)COc1ccnnc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)pyridazine?
The InChIKey is PAUZNSKITVTTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)4-12-5-1-2-10-11-3-5/h1-3H,4H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)pyridazine?
4-(2,2,2-trifluoroethoxy)pyridazine has a molecular weight of 178.11 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)pyridazine is sourced from PubChem (CID 151422416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).