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

C4Cl5N3O — CID 10945952

IUPAC2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4Cl5N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9
InChIKeyNTVJSGBCYRZLEW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds1

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

2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine (PubChem CID 10945952) has the molecular formula C4Cl5N3O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine
PubChem CID10945952
Molecular FormulaC4Cl5N3O
Molecular Weight283.33 g/mol
Exact Mass280.85
IUPAC Name2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4Cl5N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9
InChIKeyNTVJSGBCYRZLEW-UHFFFAOYSA-N
XLogP2.88
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dichloro-6-(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine (CID 10945952) is 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine is Clc1nc(Cl)nc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine?
The InChIKey is NTVJSGBCYRZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl5N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9.
What are the key properties of 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine?
2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine has a molecular weight of 283.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 10945952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).