3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine

C12H8F4N2O — CID 139386376

IUPAC3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1-c1ccc(F)cc1
InChIInChI=1S/C12H8F4N2O/c1-19-9-6-10(12(14,15)16)17-18-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyWCXGBLUIUUEMOZ-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.31
Rot. Bonds2

About 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine

3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine (PubChem CID 139386376) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine
PubChem CID139386376
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1-c1ccc(F)cc1
InChIInChI=1S/C12H8F4N2O/c1-19-9-6-10(12(14,15)16)17-18-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyWCXGBLUIUUEMOZ-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine (CID 139386376) is 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine is COc1cc(C(F)(F)F)nnc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
The InChIKey is WCXGBLUIUUEMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-19-9-6-10(12(14,15)16)17-18-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine has a molecular weight of 272.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methoxy-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 139386376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).