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

C5H2Cl5N3O — CID 54452872

IUPAC2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H2Cl5N3O/c6-2-11-3(7)13-4(12-2)14-1-5(8,9)10/h1H2
InChIKeyWWDTWTGBZRZHLO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.93
Rot. Bonds2

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

2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine (PubChem CID 54452872) has the molecular formula C5H2Cl5N3O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
PubChem CID54452872
Molecular FormulaC5H2Cl5N3O
Molecular Weight297.36 g/mol
Exact Mass294.86
IUPAC Name2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OCC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H2Cl5N3O/c6-2-11-3(7)13-4(12-2)14-1-5(8,9)10/h1H2
InChIKeyWWDTWTGBZRZHLO-UHFFFAOYSA-N
XLogP2.93
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
2-Chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine
CID 88729764
2,4,6-Tris(2,2,2-trichloroethoxy)-1,3,5-triazine
CID 34703
2,4,6-Tris(2,2,3,3,3-pentachloropropoxy)-1,3,5-triazine
CID 35674
4,6-Dichloro-2-(ethoxy-d5)-triazine
CID 45788871
4-Methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine
CID 117061557
2,4-Dichloro-6-(2-chloropropoxy)-1,3,5-triazine
CID 119091103
2-Chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine
CID 119094121
6-(2,2,2-Trichloroethoxy)-1,3,5-triazine-2,4-diamine
CID 119097178
2-Chloro-4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazine
CID 132556235

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine (CID 54452872) is 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine is Clc1nc(Cl)nc(OCC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
The InChIKey is WWDTWTGBZRZHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl5N3O/c6-2-11-3(7)13-4(12-2)14-1-5(8,9)10/h1H2.
What are the key properties of 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine?
2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine has a molecular weight of 297.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,2,2-trichloroethoxy)-1,3,5-triazine is sourced from PubChem (CID 54452872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).