6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine

C15H7ClF3N3O — CID 168873722

IUPAC6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cc2ccc(-c3cnc4ccc(Cl)nn34)cc2o1
InChIInChI=1S/C15H7ClF3N3O/c16-13-3-4-14-20-7-10(22(14)21-13)8-1-2-9-6-12(15(17,18)19)23-11(9)5-8/h1-7H
InChIKeyULORMDSQVMALAX-UHFFFAOYSA-N
MW337.69 g/mol
LogP4.81
Rot. Bonds1

About 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine

6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine (PubChem CID 168873722) has the molecular formula C15H7ClF3N3O and a molecular weight of 337.69 g/mol. Its IUPAC name is 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine
PubChem CID168873722
Molecular FormulaC15H7ClF3N3O
Molecular Weight337.69 g/mol
Exact Mass337.02
IUPAC Name6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cc2ccc(-c3cnc4ccc(Cl)nn34)cc2o1
InChIInChI=1S/C15H7ClF3N3O/c16-13-3-4-14-20-7-10(22(14)21-13)8-1-2-9-6-12(15(17,18)19)23-11(9)5-8/h1-7H
InChIKeyULORMDSQVMALAX-UHFFFAOYSA-N
XLogP4.81
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]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 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine (CID 168873722) is 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine is FC(F)(F)c1cc2ccc(-c3cnc4ccc(Cl)nn34)cc2o1.
What is the InChIKey of 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine?
The InChIKey is ULORMDSQVMALAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N3O/c16-13-3-4-14-20-7-10(22(14)21-13)8-1-2-9-6-12(15(17,18)19)23-11(9)5-8/h1-7H.
What are the key properties of 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine?
6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine has a molecular weight of 337.69 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(trifluoromethyl)-1-benzofuran-6-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 168873722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).