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

C5H5Cl2N3O2 — CID 67807080

IUPAC2,4-bis(chloromethoxy)-1,3,5-triazine
SMILESClCOc1ncnc(OCCl)n1
InChIInChI=1S/C5H5Cl2N3O2/c6-1-11-4-8-3-9-5(10-4)12-2-7/h3H,1-2H2
InChIKeyFOFBAYCLCLEIJO-UHFFFAOYSA-N
MW210.02 g/mol
LogP1.02
Rot. Bonds4

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

2,4-bis(chloromethoxy)-1,3,5-triazine (PubChem CID 67807080) has the molecular formula C5H5Cl2N3O2 and a molecular weight of 210.02 g/mol. Its IUPAC name is 2,4-bis(chloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(chloromethoxy)-1,3,5-triazine
PubChem CID67807080
Molecular FormulaC5H5Cl2N3O2
Molecular Weight210.02 g/mol
Exact Mass208.98
IUPAC Name2,4-bis(chloromethoxy)-1,3,5-triazine
SMILESClCOc1ncnc(OCCl)n1
InChIInChI=1S/C5H5Cl2N3O2/c6-1-11-4-8-3-9-5(10-4)12-2-7/h3H,1-2H2
InChIKeyFOFBAYCLCLEIJO-UHFFFAOYSA-N
XLogP1.02
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 51.02
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

2,4-Dimethoxy-1,3,5-triazine
CID 243963
2-Methoxy-1,3,5-triazine
CID 28657
Chloromethoxy-s-triazine
CID 53854570
2-Chloro-4-methoxy-1,3,5-triazine
CID 17959654
2-(Trichloromethoxy)-1,3,5-triazine
CID 19006217
2-Chloro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104350
2,4-Bis(trichloromethoxy)-1,3,5-triazine
CID 19104357
2-(Dichloromethoxy)-1,3,5-triazine
CID 22293977
2-Methanidyloxy-1,3,5-triazine;tungsten
CID 59890948
2-Methanidyloxy-1,3,5-triazine;yttrium
CID 59890951
4-chloro-N,N-bis(methoxymethyl)-1,3,5-triazin-2-amine
CID 88219493
2,4-Dichloro-1,3,5-triazine;dihydrate
CID 141125411

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(chloromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-bis(chloromethoxy)-1,3,5-triazine (CID 67807080) is 2,4-bis(chloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(chloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(chloromethoxy)-1,3,5-triazine is ClCOc1ncnc(OCCl)n1.
What is the InChIKey of 2,4-bis(chloromethoxy)-1,3,5-triazine?
The InChIKey is FOFBAYCLCLEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3O2/c6-1-11-4-8-3-9-5(10-4)12-2-7/h3H,1-2H2.
What are the key properties of 2,4-bis(chloromethoxy)-1,3,5-triazine?
2,4-bis(chloromethoxy)-1,3,5-triazine has a molecular weight of 210.02 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(chloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 67807080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).