3-[2-(trifluoromethyl)phenoxy]pyridazine

C11H7F3N2O — CID 67521498

IUPAC3-[2-(trifluoromethyl)phenoxy]pyridazine
SMILESFC(F)(F)c1ccccc1Oc1cccnn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-4-1-2-5-9(8)17-10-6-3-7-15-16-10/h1-7H
InChIKeyINWVDDLHQQZNGI-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.29
Rot. Bonds2

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

3-[2-(trifluoromethyl)phenoxy]pyridazine (PubChem CID 67521498) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenoxy]pyridazine
PubChem CID67521498
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name3-[2-(trifluoromethyl)phenoxy]pyridazine
SMILESFC(F)(F)c1ccccc1Oc1cccnn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-4-1-2-5-9(8)17-10-6-3-7-15-16-10/h1-7H
InChIKeyINWVDDLHQQZNGI-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenoxy]pyridazine?
The IUPAC name of 3-[2-(trifluoromethyl)phenoxy]pyridazine (CID 67521498) is 3-[2-(trifluoromethyl)phenoxy]pyridazine.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenoxy]pyridazine?
The canonical SMILES for 3-[2-(trifluoromethyl)phenoxy]pyridazine is FC(F)(F)c1ccccc1Oc1cccnn1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenoxy]pyridazine?
The InChIKey is INWVDDLHQQZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-4-1-2-5-9(8)17-10-6-3-7-15-16-10/h1-7H.
What are the key properties of 3-[2-(trifluoromethyl)phenoxy]pyridazine?
3-[2-(trifluoromethyl)phenoxy]pyridazine has a molecular weight of 240.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenoxy]pyridazine is sourced from PubChem (CID 67521498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).