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

C5Cl7N3O2 — CID 19104343

IUPAC2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine
SMILESClc1nc(OC(Cl)(Cl)Cl)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5Cl7N3O2/c6-1-13-2(16-4(7,8)9)15-3(14-1)17-5(10,11)12
InChIKeyKZEVNLUEBNCYQN-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.94
Rot. Bonds2

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

2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine (PubChem CID 19104343) has the molecular formula C5Cl7N3O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine
PubChem CID19104343
Molecular FormulaC5Cl7N3O2
Molecular Weight382.25 g/mol
Exact Mass378.78
IUPAC Name2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine
SMILESClc1nc(OC(Cl)(Cl)Cl)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5Cl7N3O2/c6-1-13-2(16-4(7,8)9)15-3(14-1)17-5(10,11)12
InChIKeyKZEVNLUEBNCYQN-UHFFFAOYSA-N
XLogP3.94
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-4,6-bis(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine (CID 19104343) is 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine is Clc1nc(OC(Cl)(Cl)Cl)nc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
The InChIKey is KZEVNLUEBNCYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl7N3O2/c6-1-13-2(16-4(7,8)9)15-3(14-1)17-5(10,11)12.
What are the key properties of 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine has a molecular weight of 382.25 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).