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

C5H4Cl3N3O — CID 12591581

IUPAC2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine
SMILESClCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl3N3O/c6-1-2-12-5-10-3(7)9-4(8)11-5/h1-2H2
InChIKeyDPDCFJXJUFDVIX-UHFFFAOYSA-N
MW228.47 g/mol
LogP1.80
Rot. Bonds3

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

2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine (PubChem CID 12591581) has the molecular formula C5H4Cl3N3O and a molecular weight of 228.47 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine
PubChem CID12591581
Molecular FormulaC5H4Cl3N3O
Molecular Weight228.47 g/mol
Exact Mass226.94
IUPAC Name2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine
SMILESClCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl3N3O/c6-1-2-12-5-10-3(7)9-4(8)11-5/h1-2H2
InChIKeyDPDCFJXJUFDVIX-UHFFFAOYSA-N
XLogP1.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.47
LogP ≤ 51.80
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 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine (CID 12591581) is 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine is ClCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine?
The InChIKey is DPDCFJXJUFDVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3N3O/c6-1-2-12-5-10-3(7)9-4(8)11-5/h1-2H2.
What are the key properties of 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine has a molecular weight of 228.47 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine is sourced from PubChem (CID 12591581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).