2,4,6-tris(trichloromethyl)-1,3,5-triazine

C6Cl9N3 — CID 23038

IUPAC2,4,6-tris(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6Cl9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
InChIKeyDXUMYHZTYVPBEZ-UHFFFAOYSA-N
MW433.16 g/mol
LogP5.35
Rot. Bonds

About 2,4,6-tris(trichloromethyl)-1,3,5-triazine

2,4,6-tris(trichloromethyl)-1,3,5-triazine (PubChem CID 23038) has the molecular formula C6Cl9N3 and a molecular weight of 433.16 g/mol. Its IUPAC name is 2,4,6-tris(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(trichloromethyl)-1,3,5-triazine
PubChem CID23038
Molecular FormulaC6Cl9N3
Molecular Weight433.16 g/mol
Exact Mass428.73
IUPAC Name2,4,6-tris(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6Cl9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
InChIKeyDXUMYHZTYVPBEZ-UHFFFAOYSA-N
XLogP5.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.16
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(trichloromethyl)-1,3,5-triazine (CID 23038) is 2,4,6-tris(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4,6-tris(trichloromethyl)-1,3,5-triazine?
The InChIKey is DXUMYHZTYVPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15.
What are the key properties of 2,4,6-tris(trichloromethyl)-1,3,5-triazine?
2,4,6-tris(trichloromethyl)-1,3,5-triazine has a molecular weight of 433.16 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 23038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).