4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine

C13H12ClFN2 — CID 118655669

IUPAC4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine
SMILESCC(C)c1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C13H12ClFN2/c1-8(2)10-6-13(15)12(14)5-11(10)9-3-4-16-17-7-9/h3-8H,1-2H3
InChIKeyFFWROPKNPDSZQS-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.06
Rot. Bonds2

About 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine

4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine (PubChem CID 118655669) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine.

Molecular Properties

Compound Name4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine
PubChem CID118655669
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine
SMILESCC(C)c1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C13H12ClFN2/c1-8(2)10-6-13(15)12(14)5-11(10)9-3-4-16-17-7-9/h3-8H,1-2H3
InChIKeyFFWROPKNPDSZQS-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)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-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine?
The IUPAC name of 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine (CID 118655669) is 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine.
What is the SMILES notation for 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine?
The canonical SMILES for 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine is CC(C)c1cc(F)c(Cl)cc1-c1ccnnc1.
What is the InChIKey of 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine?
The InChIKey is FFWROPKNPDSZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8(2)10-6-13(15)12(14)5-11(10)9-3-4-16-17-7-9/h3-8H,1-2H3.
What are the key properties of 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine?
4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine has a molecular weight of 250.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine is sourced from PubChem (CID 118655669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).