3-tert-butyl-6-(4-fluorophenoxy)pyridazine

C14H15FN2O — CID 70799698

IUPAC3-tert-butyl-6-(4-fluorophenoxy)pyridazine
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2)nn1
InChIInChI=1S/C14H15FN2O/c1-14(2,3)12-8-9-13(17-16-12)18-11-6-4-10(15)5-7-11/h4-9H,1-3H3
InChIKeyLRHAHAYFDFPLCY-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.71
Rot. Bonds2

About 3-tert-butyl-6-(4-fluorophenoxy)pyridazine

3-tert-butyl-6-(4-fluorophenoxy)pyridazine (PubChem CID 70799698) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-tert-butyl-6-(4-fluorophenoxy)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-(4-fluorophenoxy)pyridazine
PubChem CID70799698
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-tert-butyl-6-(4-fluorophenoxy)pyridazine
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2)nn1
InChIInChI=1S/C14H15FN2O/c1-14(2,3)12-8-9-13(17-16-12)18-11-6-4-10(15)5-7-11/h4-9H,1-3H3
InChIKeyLRHAHAYFDFPLCY-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(4-fluorophenoxy)pyridazine?
The IUPAC name of 3-tert-butyl-6-(4-fluorophenoxy)pyridazine (CID 70799698) is 3-tert-butyl-6-(4-fluorophenoxy)pyridazine.
What is the SMILES notation for 3-tert-butyl-6-(4-fluorophenoxy)pyridazine?
The canonical SMILES for 3-tert-butyl-6-(4-fluorophenoxy)pyridazine is CC(C)(C)c1ccc(Oc2ccc(F)cc2)nn1.
What is the InChIKey of 3-tert-butyl-6-(4-fluorophenoxy)pyridazine?
The InChIKey is LRHAHAYFDFPLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-14(2,3)12-8-9-13(17-16-12)18-11-6-4-10(15)5-7-11/h4-9H,1-3H3.
What are the key properties of 3-tert-butyl-6-(4-fluorophenoxy)pyridazine?
3-tert-butyl-6-(4-fluorophenoxy)pyridazine has a molecular weight of 246.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(4-fluorophenoxy)pyridazine is sourced from PubChem (CID 70799698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).