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

C5H4Cl3N3O2 — CID 119093903

IUPAC2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine
SMILESClCOc1nc(Cl)nc(OCCl)n1
InChIInChI=1S/C5H4Cl3N3O2/c6-1-12-4-9-3(8)10-5(11-4)13-2-7/h1-2H2
InChIKeyIYPGUQDJWRCBTA-UHFFFAOYSA-N
MW244.46 g/mol
LogP1.68
Rot. Bonds4

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

2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine (PubChem CID 119093903) has the molecular formula C5H4Cl3N3O2 and a molecular weight of 244.46 g/mol. Its IUPAC name is 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine
PubChem CID119093903
Molecular FormulaC5H4Cl3N3O2
Molecular Weight244.46 g/mol
Exact Mass242.94
IUPAC Name2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine
SMILESClCOc1nc(Cl)nc(OCCl)n1
InChIInChI=1S/C5H4Cl3N3O2/c6-1-12-4-9-3(8)10-5(11-4)13-2-7/h1-2H2
InChIKeyIYPGUQDJWRCBTA-UHFFFAOYSA-N
XLogP1.68
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethoxy-1,3,5-triazine
CID 18450
2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
2-(Chloromethoxy)-4,6-difluoro-1,3,5-triazine
CID 151848599
2,4-Dichloro-6-(chloromethoxy)-1,3,5-triazine
CID 19104339
Sodium 4-chloro-6-methoxy-1,3,5-triazin-2-olate
CID 23684025
CID 58766103
CID 58766103
2-Chloro-4-methoxy-6-methyliodanuidyl-1,3,5-triazine
CID 60052877
4-Chloro-6-methoxy-1,3,5-triazin-2-olate
CID 60095569
2,4-Bis(chloromethoxy)-1,3,5-triazine
CID 67807080
4,6-Dimethoxy-1,3,5-triazin-2-olate
CID 86306186
2-Chloro-4,6-dimethoxy-1,3,5-triazine;ethane
CID 142358243
(4-Chloro-6-methoxy-1,3,5-triazin-2-yl) hypochlorite;ethane
CID 142977924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine (CID 119093903) is 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine is ClCOc1nc(Cl)nc(OCCl)n1.
What is the InChIKey of 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine?
The InChIKey is IYPGUQDJWRCBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3N3O2/c6-1-12-4-9-3(8)10-5(11-4)13-2-7/h1-2H2.
What are the key properties of 2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine?
2-chloro-4,6-bis(chloromethoxy)-1,3,5-triazine has a molecular weight of 244.46 g/mol, XLogP of 1.68, 4 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(chloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 119093903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).