3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine

C13H11F3N2O — CID 70987253

IUPAC3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine
SMILESCc1ccc(Oc2ccccc2CC(F)(F)F)nn1
InChIInChI=1S/C13H11F3N2O/c1-9-6-7-12(18-17-9)19-11-5-3-2-4-10(11)8-13(14,15)16/h2-7H,8H2,1H3
InChIKeyORJDUJFOIQBJBU-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.68
Rot. Bonds3

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

3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine (PubChem CID 70987253) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine
PubChem CID70987253
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine
SMILESCc1ccc(Oc2ccccc2CC(F)(F)F)nn1
InChIInChI=1S/C13H11F3N2O/c1-9-6-7-12(18-17-9)19-11-5-3-2-4-10(11)8-13(14,15)16/h2-7H,8H2,1H3
InChIKeyORJDUJFOIQBJBU-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.68
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-(2,2,2-trifluoroethyl)phenoxy]pyridazine?
The IUPAC name of 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine (CID 70987253) is 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine is Cc1ccc(Oc2ccccc2CC(F)(F)F)nn1.
What is the InChIKey of 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine?
The InChIKey is ORJDUJFOIQBJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-9-6-7-12(18-17-9)19-11-5-3-2-4-10(11)8-13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine?
3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine has a molecular weight of 268.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine is sourced from PubChem (CID 70987253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).