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

C4H2Cl3N3O — CID 19006217

IUPAC2-(trichloromethoxy)-1,3,5-triazine
SMILESClC(Cl)(Cl)Oc1ncncn1
InChIInChI=1S/C4H2Cl3N3O/c5-4(6,7)11-3-9-1-8-2-10-3/h1-2H
InChIKeyJSRWBEMMAHPXDY-UHFFFAOYSA-N
MW214.44 g/mol
LogP1.58
Rot. Bonds1

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

2-(trichloromethoxy)-1,3,5-triazine (PubChem CID 19006217) has the molecular formula C4H2Cl3N3O and a molecular weight of 214.44 g/mol. Its IUPAC name is 2-(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(trichloromethoxy)-1,3,5-triazine
PubChem CID19006217
Molecular FormulaC4H2Cl3N3O
Molecular Weight214.44 g/mol
Exact Mass212.93
IUPAC Name2-(trichloromethoxy)-1,3,5-triazine
SMILESClC(Cl)(Cl)Oc1ncncn1
InChIInChI=1S/C4H2Cl3N3O/c5-4(6,7)11-3-9-1-8-2-10-3/h1-2H
InChIKeyJSRWBEMMAHPXDY-UHFFFAOYSA-N
XLogP1.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.44
LogP ≤ 51.58
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-(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-(trichloromethoxy)-1,3,5-triazine (CID 19006217) is 2-(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-(trichloromethoxy)-1,3,5-triazine is ClC(Cl)(Cl)Oc1ncncn1.
What is the InChIKey of 2-(trichloromethoxy)-1,3,5-triazine?
The InChIKey is JSRWBEMMAHPXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3N3O/c5-4(6,7)11-3-9-1-8-2-10-3/h1-2H.
What are the key properties of 2-(trichloromethoxy)-1,3,5-triazine?
2-(trichloromethoxy)-1,3,5-triazine has a molecular weight of 214.44 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19006217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).