3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine

C11H6ClF3N2O — CID 11254349

IUPAC3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine
SMILESFC(F)(F)c1cccc(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H6ClF3N2O/c12-9-4-5-10(17-16-9)18-8-3-1-2-7(6-8)11(13,14)15/h1-6H
InChIKeySKTGNZGOJDGFHX-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.94
Rot. Bonds2

About 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine

3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine (PubChem CID 11254349) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine
PubChem CID11254349
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine
SMILESFC(F)(F)c1cccc(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H6ClF3N2O/c12-9-4-5-10(17-16-9)18-8-3-1-2-7(6-8)11(13,14)15/h1-6H
InChIKeySKTGNZGOJDGFHX-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine?
The IUPAC name of 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine (CID 11254349) is 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine is FC(F)(F)c1cccc(Oc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine?
The InChIKey is SKTGNZGOJDGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-9-4-5-10(17-16-9)18-8-3-1-2-7(6-8)11(13,14)15/h1-6H.
What are the key properties of 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine?
3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine has a molecular weight of 274.63 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(trifluoromethyl)phenoxy]pyridazine is sourced from PubChem (CID 11254349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).