1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone

C18H12F2N2OS — CID 7206202

IUPAC1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2OS/c19-14-5-1-12(2-6-14)16-9-10-18(22-21-16)24-11-17(23)13-3-7-15(20)8-4-13/h1-10H,11H2
InChIKeyKVIUWUKCDXKEIK-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone

1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 7206202) has the molecular formula C18H12F2N2OS and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID7206202
Molecular FormulaC18H12F2N2OS
Molecular Weight342.37 g/mol
Exact Mass342.06
IUPAC Name1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2OS/c19-14-5-1-12(2-6-14)16-9-10-18(22-21-16)24-11-17(23)13-3-7-15(20)8-4-13/h1-10H,11H2
InChIKeyKVIUWUKCDXKEIK-UHFFFAOYSA-N
XLogP4.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone (CID 7206202) is 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is KVIUWUKCDXKEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2OS/c19-14-5-1-12(2-6-14)16-9-10-18(22-21-16)24-11-17(23)13-3-7-15(20)8-4-13/h1-10H,11H2.
What are the key properties of 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 342.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 7206202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).