3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine

C12H9F3N2O — CID 70985599

IUPAC3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine
SMILESCc1ccc(Oc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H9F3N2O/c1-8-6-7-11(17-16-8)18-10-5-3-2-4-9(10)12(13,14)15/h2-7H,1H3
InChIKeyFJYCLIROTVFOTB-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.60
Rot. Bonds2

About 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine

3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine (PubChem CID 70985599) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine
PubChem CID70985599
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine
SMILESCc1ccc(Oc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H9F3N2O/c1-8-6-7-11(17-16-8)18-10-5-3-2-4-9(10)12(13,14)15/h2-7H,1H3
InChIKeyFJYCLIROTVFOTB-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.60
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-(trifluoromethyl)phenoxy]pyridazine?
The IUPAC name of 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine (CID 70985599) is 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine is Cc1ccc(Oc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine?
The InChIKey is FJYCLIROTVFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-8-6-7-11(17-16-8)18-10-5-3-2-4-9(10)12(13,14)15/h2-7H,1H3.
What are the key properties of 3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine?
3-methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine has a molecular weight of 254.21 g/mol, XLogP of 3.60, 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-(trifluoromethyl)phenoxy]pyridazine is sourced from PubChem (CID 70985599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).