3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine

C7H7F3N2O — CID 118066312

IUPAC3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine
SMILESCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H7F3N2O/c1-5-2-3-6(12-11-5)13-4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyZEWIDQLNPKPZPK-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.73
Rot. Bonds2

About 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine

3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine (PubChem CID 118066312) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine.

Molecular Properties

Compound Name3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine
PubChem CID118066312
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine
SMILESCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H7F3N2O/c1-5-2-3-6(12-11-5)13-4-7(8,9)10/h2-3H,4H2,1H3
InChIKeyZEWIDQLNPKPZPK-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine?
The IUPAC name of 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine (CID 118066312) is 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine.
What is the SMILES notation for 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine?
The canonical SMILES for 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine is Cc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine?
The InChIKey is ZEWIDQLNPKPZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-5-2-3-6(12-11-5)13-4-7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine?
3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine has a molecular weight of 192.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2,2,2-trifluoroethoxy)pyridazine is sourced from PubChem (CID 118066312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).