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

C5HCl6N3O2 — CID 19104357

IUPAC2,4-bis(trichloromethoxy)-1,3,5-triazine
SMILESClC(Cl)(Cl)Oc1ncnc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5HCl6N3O2/c6-4(7,8)15-2-12-1-13-3(14-2)16-5(9,10)11/h1H
InChIKeyRXGNFFKJENYOPF-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.28
Rot. Bonds2

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

2,4-bis(trichloromethoxy)-1,3,5-triazine (PubChem CID 19104357) has the molecular formula C5HCl6N3O2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2,4-bis(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(trichloromethoxy)-1,3,5-triazine
PubChem CID19104357
Molecular FormulaC5HCl6N3O2
Molecular Weight347.80 g/mol
Exact Mass344.82
IUPAC Name2,4-bis(trichloromethoxy)-1,3,5-triazine
SMILESClC(Cl)(Cl)Oc1ncnc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5HCl6N3O2/c6-4(7,8)15-2-12-1-13-3(14-2)16-5(9,10)11/h1H
InChIKeyRXGNFFKJENYOPF-UHFFFAOYSA-N
XLogP3.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104341
2-(Trichloromethoxy)-1,3,5-triazine
CID 19006217
2-Chloro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104350
2-(Dichloromethoxy)-1,3,5-triazine
CID 22293977
2,4-Bis(chloromethoxy)-1,3,5-triazine
CID 67807080

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-bis(trichloromethoxy)-1,3,5-triazine (CID 19104357) is 2,4-bis(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(trichloromethoxy)-1,3,5-triazine is ClC(Cl)(Cl)Oc1ncnc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-bis(trichloromethoxy)-1,3,5-triazine?
The InChIKey is RXGNFFKJENYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl6N3O2/c6-4(7,8)15-2-12-1-13-3(14-2)16-5(9,10)11/h1H.
What are the key properties of 2,4-bis(trichloromethoxy)-1,3,5-triazine?
2,4-bis(trichloromethoxy)-1,3,5-triazine has a molecular weight of 347.80 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).