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

C7H8Cl3N3O2 — CID 119094121

IUPAC2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine
SMILESClCCOc1nc(Cl)nc(OCCCl)n1
InChIInChI=1S/C7H8Cl3N3O2/c8-1-3-14-6-11-5(10)12-7(13-6)15-4-2-9/h1-4H2
InChIKeyOHFKUIMZBXFLKD-UHFFFAOYSA-N
MW272.52 g/mol
LogP1.76
Rot. Bonds6

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

2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine (PubChem CID 119094121) has the molecular formula C7H8Cl3N3O2 and a molecular weight of 272.52 g/mol. Its IUPAC name is 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine
PubChem CID119094121
Molecular FormulaC7H8Cl3N3O2
Molecular Weight272.52 g/mol
Exact Mass270.97
IUPAC Name2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine
SMILESClCCOc1nc(Cl)nc(OCCCl)n1
InChIInChI=1S/C7H8Cl3N3O2/c8-1-3-14-6-11-5(10)12-7(13-6)15-4-2-9/h1-4H2
InChIKeyOHFKUIMZBXFLKD-UHFFFAOYSA-N
XLogP1.76
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 51.76
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(2-chloroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine (CID 119094121) is 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine is ClCCOc1nc(Cl)nc(OCCCl)n1.
What is the InChIKey of 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine?
The InChIKey is OHFKUIMZBXFLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl3N3O2/c8-1-3-14-6-11-5(10)12-7(13-6)15-4-2-9/h1-4H2.
What are the key properties of 2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine?
2-chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine has a molecular weight of 272.52 g/mol, XLogP of 1.76, 6 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(2-chloroethoxy)-1,3,5-triazine is sourced from PubChem (CID 119094121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).