2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine

C12H15Cl6N3O3 — CID 102414053

IUPAC2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine
SMILESClCC(Cl)COc1nc(OCC(Cl)CCl)nc(OCC(Cl)CCl)n1
InChIInChI=1S/C12H15Cl6N3O3/c13-1-7(16)4-22-10-19-11(23-5-8(17)2-14)21-12(20-10)24-6-9(18)3-15/h7-9H,1-6H2
InChIKeyGMWAKBZKDAXRFR-UHFFFAOYSA-N
MW461.99 g/mol
LogP3.55
Rot. Bonds12

About 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine

2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine (PubChem CID 102414053) has the molecular formula C12H15Cl6N3O3 and a molecular weight of 461.99 g/mol. Its IUPAC name is 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine
PubChem CID102414053
Molecular FormulaC12H15Cl6N3O3
Molecular Weight461.99 g/mol
Exact Mass458.92
IUPAC Name2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine
SMILESClCC(Cl)COc1nc(OCC(Cl)CCl)nc(OCC(Cl)CCl)n1
InChIInChI=1S/C12H15Cl6N3O3/c13-1-7(16)4-22-10-19-11(23-5-8(17)2-14)21-12(20-10)24-6-9(18)3-15/h7-9H,1-6H2
InChIKeyGMWAKBZKDAXRFR-UHFFFAOYSA-N
XLogP3.55
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
2-(2-Chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
CID 3638442
4-(2,3-Dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598552
2-Chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine
CID 88729764
2-Chloro-4-(2-chloroethoxy)-6-ethoxy-1,3,5-triazine
CID 152754708
2-Chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine
CID 170449827
2,4,6-Tris(2,2,3,3,3-pentachloropropoxy)-1,3,5-triazine
CID 35674
2,4-Dichloro-6-(3-chloropropoxy)-1,3,5-triazine
CID 86133887
2,4-Dichloro-6-(2-chloropropoxy)-1,3,5-triazine
CID 119091103
2-Chloro-4,6-bis(2-chloroethoxy)-1,3,5-triazine
CID 119094121

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine (CID 102414053) is 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine is ClCC(Cl)COc1nc(OCC(Cl)CCl)nc(OCC(Cl)CCl)n1.
What is the InChIKey of 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine?
The InChIKey is GMWAKBZKDAXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl6N3O3/c13-1-7(16)4-22-10-19-11(23-5-8(17)2-14)21-12(20-10)24-6-9(18)3-15/h7-9H,1-6H2.
What are the key properties of 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine?
2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine has a molecular weight of 461.99 g/mol, XLogP of 3.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,3-dichloropropoxy)-1,3,5-triazine is sourced from PubChem (CID 102414053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).