3,6-dimethoxy-4-(trifluoromethyl)pyridazine

C7H7F3N2O2 — CID 51351063

IUPAC3,6-dimethoxy-4-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)c(OC)nn1
InChIInChI=1S/C7H7F3N2O2/c1-13-5-3-4(7(8,9)10)6(14-2)12-11-5/h3H,1-2H3
InChIKeyVICJYPHIQUMRFT-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.51
Rot. Bonds2

About 3,6-dimethoxy-4-(trifluoromethyl)pyridazine

3,6-dimethoxy-4-(trifluoromethyl)pyridazine (PubChem CID 51351063) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 3,6-dimethoxy-4-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,6-dimethoxy-4-(trifluoromethyl)pyridazine
PubChem CID51351063
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name3,6-dimethoxy-4-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)c(OC)nn1
InChIInChI=1S/C7H7F3N2O2/c1-13-5-3-4(7(8,9)10)6(14-2)12-11-5/h3H,1-2H3
InChIKeyVICJYPHIQUMRFT-UHFFFAOYSA-N
XLogP1.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-4-(trifluoromethyl)pyridazine?
The IUPAC name of 3,6-dimethoxy-4-(trifluoromethyl)pyridazine (CID 51351063) is 3,6-dimethoxy-4-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,6-dimethoxy-4-(trifluoromethyl)pyridazine?
The canonical SMILES for 3,6-dimethoxy-4-(trifluoromethyl)pyridazine is COc1cc(C(F)(F)F)c(OC)nn1.
What is the InChIKey of 3,6-dimethoxy-4-(trifluoromethyl)pyridazine?
The InChIKey is VICJYPHIQUMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-13-5-3-4(7(8,9)10)6(14-2)12-11-5/h3H,1-2H3.
What are the key properties of 3,6-dimethoxy-4-(trifluoromethyl)pyridazine?
3,6-dimethoxy-4-(trifluoromethyl)pyridazine has a molecular weight of 208.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-4-(trifluoromethyl)pyridazine is sourced from PubChem (CID 51351063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).