3-methyl-4-(2,4,6-trifluorophenyl)pyridazine

C11H7F3N2 — CID 123434856

IUPAC3-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnccc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H7F3N2/c1-6-8(2-3-15-16-6)11-9(13)4-7(12)5-10(11)14/h2-5H,1H3
InChIKeyPUUUIWSCVKVEMB-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.87
Rot. Bonds1

About 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine

3-methyl-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 123434856) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-methyl-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID123434856
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnccc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H7F3N2/c1-6-8(2-3-15-16-6)11-9(13)4-7(12)5-10(11)14/h2-5H,1H3
InChIKeyPUUUIWSCVKVEMB-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine (CID 123434856) is 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine is Cc1nnccc1-c1c(F)cc(F)cc1F.
What is the InChIKey of 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is PUUUIWSCVKVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c1-6-8(2-3-15-16-6)11-9(13)4-7(12)5-10(11)14/h2-5H,1H3.
What are the key properties of 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
3-methyl-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 224.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 123434856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).