3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine

C7H6ClF3N2O — CID 104514054

IUPAC3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine
SMILESFC(F)(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C7H6ClF3N2O/c8-6-2-1-5(12-13-6)3-14-4-7(9,10)11/h1-2H,3-4H2
InChIKeyKFCDMYOABTVOTD-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.21
Rot. Bonds3

About 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine

3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine (PubChem CID 104514054) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine
PubChem CID104514054
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine
SMILESFC(F)(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C7H6ClF3N2O/c8-6-2-1-5(12-13-6)3-14-4-7(9,10)11/h1-2H,3-4H2
InChIKeyKFCDMYOABTVOTD-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine (CID 104514054) is 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine is FC(F)(F)COCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine?
The InChIKey is KFCDMYOABTVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-6-2-1-5(12-13-6)3-14-4-7(9,10)11/h1-2H,3-4H2.
What are the key properties of 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine?
3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine has a molecular weight of 226.58 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyridazine is sourced from PubChem (CID 104514054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).