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

C9H12Cl3N3O3 — CID 13742

IUPAC2,4,6-tris(2-chloroethoxy)-1,3,5-triazine
SMILESClCCOc1nc(OCCCl)nc(OCCCl)n1
InChIInChI=1S/C9H12Cl3N3O3/c10-1-4-16-7-13-8(17-5-2-11)15-9(14-7)18-6-3-12/h1-6H2
InChIKeyFBHQUDFHAAGIPZ-UHFFFAOYSA-N
MW316.57 g/mol
LogP1.72
Rot. Bonds9

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

2,4,6-tris(2-chloroethoxy)-1,3,5-triazine (PubChem CID 13742) has the molecular formula C9H12Cl3N3O3 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-chloroethoxy)-1,3,5-triazine
PubChem CID13742
Molecular FormulaC9H12Cl3N3O3
Molecular Weight316.57 g/mol
Exact Mass314.99
IUPAC Name2,4,6-tris(2-chloroethoxy)-1,3,5-triazine
SMILESClCCOc1nc(OCCCl)nc(OCCCl)n1
InChIInChI=1S/C9H12Cl3N3O3/c10-1-4-16-7-13-8(17-5-2-11)15-9(14-7)18-6-3-12/h1-6H2
InChIKeyFBHQUDFHAAGIPZ-UHFFFAOYSA-N
XLogP1.72
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 51.72
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-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
2-(2-Chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
CID 3638442
4-(2-Chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598520
4-(2,3-Dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598552
2-Chloroethoxymethyl-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]cyanamide
CID 3091043
4-(2-Chloroethoxy)-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 23268774
2-Chloro-4-ethoxy-6-methoxy-1,3,5-triazine
CID 19010699
2-Chloro-4,6-dipropoxy-1,3,5-triazine
CID 22227779
CID 60126216
CID 60126216
2-Chloro-4-(2-chloroethoxy)-6-methoxy-1,3,5-triazine
CID 88729764
2,4,6-Tris(2,3-dichloropropoxy)-1,3,5-triazine
CID 102414053

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine (CID 13742) is 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine is ClCCOc1nc(OCCCl)nc(OCCCl)n1.
What is the InChIKey of 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine?
The InChIKey is FBHQUDFHAAGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl3N3O3/c10-1-4-16-7-13-8(17-5-2-11)15-9(14-7)18-6-3-12/h1-6H2.
What are the key properties of 2,4,6-tris(2-chloroethoxy)-1,3,5-triazine?
2,4,6-tris(2-chloroethoxy)-1,3,5-triazine has a molecular weight of 316.57 g/mol, XLogP of 1.72, 9 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-chloroethoxy)-1,3,5-triazine is sourced from PubChem (CID 13742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).