2-chloro-4-(trichloromethoxy)-1,3,5-triazine

C4HCl4N3O — CID 19104350

IUPAC2-chloro-4-(trichloromethoxy)-1,3,5-triazine
SMILESClc1ncnc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4HCl4N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H
InChIKeyPRNQPDARGVMVOH-UHFFFAOYSA-N
MW248.88 g/mol
LogP2.23
Rot. Bonds1

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

2-chloro-4-(trichloromethoxy)-1,3,5-triazine (PubChem CID 19104350) has the molecular formula C4HCl4N3O and a molecular weight of 248.88 g/mol. Its IUPAC name is 2-chloro-4-(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(trichloromethoxy)-1,3,5-triazine
PubChem CID19104350
Molecular FormulaC4HCl4N3O
Molecular Weight248.88 g/mol
Exact Mass246.89
IUPAC Name2-chloro-4-(trichloromethoxy)-1,3,5-triazine
SMILESClc1ncnc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4HCl4N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H
InChIKeyPRNQPDARGVMVOH-UHFFFAOYSA-N
XLogP2.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.88
LogP ≤ 52.23
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-chloro-4-(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(trichloromethoxy)-1,3,5-triazine (CID 19104350) is 2-chloro-4-(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(trichloromethoxy)-1,3,5-triazine is Clc1ncnc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-chloro-4-(trichloromethoxy)-1,3,5-triazine?
The InChIKey is PRNQPDARGVMVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl4N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H.
What are the key properties of 2-chloro-4-(trichloromethoxy)-1,3,5-triazine?
2-chloro-4-(trichloromethoxy)-1,3,5-triazine has a molecular weight of 248.88 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).