3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine

C15H8F4N2S — CID 68711889

IUPAC3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1cccs1
InChIInChI=1S/C15H8F4N2S/c1-7-12(11-3-2-4-22-11)14(15(19)21-20-7)13-9(17)5-8(16)6-10(13)18/h2-6H,1H3
InChIKeyJQNKXHMSNGUWQM-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.74
Rot. Bonds2

About 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine

3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 68711889) has the molecular formula C15H8F4N2S and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID68711889
Molecular FormulaC15H8F4N2S
Molecular Weight324.30 g/mol
Exact Mass324.03
IUPAC Name3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1cccs1
InChIInChI=1S/C15H8F4N2S/c1-7-12(11-3-2-4-22-11)14(15(19)21-20-7)13-9(17)5-8(16)6-10(13)18/h2-6H,1H3
InChIKeyJQNKXHMSNGUWQM-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine (CID 68711889) is 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine is Cc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1cccs1.
What is the InChIKey of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is JQNKXHMSNGUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2S/c1-7-12(11-3-2-4-22-11)14(15(19)21-20-7)13-9(17)5-8(16)6-10(13)18/h2-6H,1H3.
What are the key properties of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 324.30 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 68711889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).