2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine

C6H5Cl4N3O2 — CID 132556235

IUPAC2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H5Cl4N3O2/c1-14-4-11-3(7)12-5(13-4)15-2-6(8,9)10/h2H2,1H3
InChIKeyFYBPEJLTQZPCPO-UHFFFAOYSA-N
MW292.94 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine

2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine (PubChem CID 132556235) has the molecular formula C6H5Cl4N3O2 and a molecular weight of 292.94 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
PubChem CID132556235
Molecular FormulaC6H5Cl4N3O2
Molecular Weight292.94 g/mol
Exact Mass290.91
IUPAC Name2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H5Cl4N3O2/c1-14-4-11-3(7)12-5(13-4)15-2-6(8,9)10/h2H2,1H3
InChIKeyFYBPEJLTQZPCPO-UHFFFAOYSA-N
XLogP2.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.94
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine (CID 132556235) is 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine is COc1nc(Cl)nc(OCC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
The InChIKey is FYBPEJLTQZPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl4N3O2/c1-14-4-11-3(7)12-5(13-4)15-2-6(8,9)10/h2H2,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine has a molecular weight of 292.94 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine is sourced from PubChem (CID 132556235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).