3-ethyl-6-(4-fluorophenoxy)pyridazine

C12H11FN2O — CID 70811539

IUPAC3-ethyl-6-(4-fluorophenoxy)pyridazine
SMILESCCc1ccc(Oc2ccc(F)cc2)nn1
InChIInChI=1S/C12H11FN2O/c1-2-10-5-8-12(15-14-10)16-11-6-3-9(13)4-7-11/h3-8H,2H2,1H3
InChIKeyALWXUKQWRWKDQK-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-6-(4-fluorophenoxy)pyridazine

3-ethyl-6-(4-fluorophenoxy)pyridazine (PubChem CID 70811539) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-ethyl-6-(4-fluorophenoxy)pyridazine.

Molecular Properties

Compound Name3-ethyl-6-(4-fluorophenoxy)pyridazine
PubChem CID70811539
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-ethyl-6-(4-fluorophenoxy)pyridazine
SMILESCCc1ccc(Oc2ccc(F)cc2)nn1
InChIInChI=1S/C12H11FN2O/c1-2-10-5-8-12(15-14-10)16-11-6-3-9(13)4-7-11/h3-8H,2H2,1H3
InChIKeyALWXUKQWRWKDQK-UHFFFAOYSA-N
XLogP2.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-fluorophenoxy)pyridazine?
The IUPAC name of 3-ethyl-6-(4-fluorophenoxy)pyridazine (CID 70811539) is 3-ethyl-6-(4-fluorophenoxy)pyridazine.
What is the SMILES notation for 3-ethyl-6-(4-fluorophenoxy)pyridazine?
The canonical SMILES for 3-ethyl-6-(4-fluorophenoxy)pyridazine is CCc1ccc(Oc2ccc(F)cc2)nn1.
What is the InChIKey of 3-ethyl-6-(4-fluorophenoxy)pyridazine?
The InChIKey is ALWXUKQWRWKDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-10-5-8-12(15-14-10)16-11-6-3-9(13)4-7-11/h3-8H,2H2,1H3.
What are the key properties of 3-ethyl-6-(4-fluorophenoxy)pyridazine?
3-ethyl-6-(4-fluorophenoxy)pyridazine has a molecular weight of 218.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-fluorophenoxy)pyridazine is sourced from PubChem (CID 70811539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).