2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

C16H11FN2O2S — CID 6499083

IUPAC2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-12-5-3-11(4-6-12)14(20)10-19-16(21)8-7-13(18-19)15-2-1-9-22-15/h1-9H,10H2
InChIKeyDOGCMGQESFRZCG-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.99
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 6499083) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID6499083
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2S/c17-12-5-3-11(4-6-12)14(20)10-19-16(21)8-7-13(18-19)15-2-1-9-22-15/h1-9H,10H2
InChIKeyDOGCMGQESFRZCG-UHFFFAOYSA-N
XLogP2.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (CID 6499083) is 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is O=C(Cn1nc(-c2cccs2)ccc1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is DOGCMGQESFRZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-12-5-3-11(4-6-12)14(20)10-19-16(21)8-7-13(18-19)15-2-1-9-22-15/h1-9H,10H2.
What are the key properties of 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 314.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 6499083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).