3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine

C17H12F2N2S — CID 7206166

IUPAC3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
SMILESFc1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H12F2N2S/c18-14-5-1-12(2-6-14)11-22-17-10-9-16(20-21-17)13-3-7-15(19)8-4-13/h1-10H,11H2
InChIKeyUGIBZKXAQPNHEH-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.71
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine

3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine (PubChem CID 7206166) has the molecular formula C17H12F2N2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
PubChem CID7206166
Molecular FormulaC17H12F2N2S
Molecular Weight314.36 g/mol
Exact Mass314.07
IUPAC Name3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
SMILESFc1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H12F2N2S/c18-14-5-1-12(2-6-14)11-22-17-10-9-16(20-21-17)13-3-7-15(19)8-4-13/h1-10H,11H2
InChIKeyUGIBZKXAQPNHEH-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine (CID 7206166) is 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine is Fc1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
The InChIKey is UGIBZKXAQPNHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2S/c18-14-5-1-12(2-6-14)11-22-17-10-9-16(20-21-17)13-3-7-15(19)8-4-13/h1-10H,11H2.
What are the key properties of 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine has a molecular weight of 314.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7206166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).