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

C16H11FN2O2S — CID 7207252

IUPAC1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccco2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2
InChIKeyKCMXACXDEVCGPB-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.85
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone (PubChem CID 7207252) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone
PubChem CID7207252
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccco2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2
InChIKeyKCMXACXDEVCGPB-UHFFFAOYSA-N
XLogP3.85
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone (CID 7207252) is 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone is O=C(CSc1ccc(-c2ccco2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is KCMXACXDEVCGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2.
What are the key properties of 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 314.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 7207252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).