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

C15H8F4N2S — CID 68875910

IUPAC3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine
SMILESCc1nnc(F)c(-c2ccc(F)c(F)c2F)c1-c1cccs1
InChIInChI=1S/C15H8F4N2S/c1-7-11(10-3-2-6-22-10)12(15(19)21-20-7)8-4-5-9(16)14(18)13(8)17/h2-6H,1H3
InChIKeyYTEBGPRCQNQGMD-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.74
Rot. Bonds2

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

3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine (PubChem CID 68875910) 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-(2,3,4-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine
PubChem CID68875910
Molecular FormulaC15H8F4N2S
Molecular Weight324.30 g/mol
Exact Mass324.03
IUPAC Name3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine
SMILESCc1nnc(F)c(-c2ccc(F)c(F)c2F)c1-c1cccs1
InChIInChI=1S/C15H8F4N2S/c1-7-11(10-3-2-6-22-10)12(15(19)21-20-7)8-4-5-9(16)14(18)13(8)17/h2-6H,1H3
InChIKeyYTEBGPRCQNQGMD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine?
The IUPAC name of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine (CID 68875910) is 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine?
The canonical SMILES for 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine is Cc1nnc(F)c(-c2ccc(F)c(F)c2F)c1-c1cccs1.
What is the InChIKey of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine?
The InChIKey is YTEBGPRCQNQGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2S/c1-7-11(10-3-2-6-22-10)12(15(19)21-20-7)8-4-5-9(16)14(18)13(8)17/h2-6H,1H3.
What are the key properties of 3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-trifluorophenyl)pyridazine?
3-fluoro-6-methyl-5-thiophen-2-yl-4-(2,3,4-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-(2,3,4-trifluorophenyl)pyridazine is sourced from PubChem (CID 68875910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).