2,4-bis(trichloromethyl)-1,3,5-triazine;styrene

C13H9Cl6N3 — CID 143216242

IUPAC2,4-bis(trichloromethyl)-1,3,5-triazine;styrene
SMILESC=Cc1ccccc1.ClC(Cl)(Cl)c1ncnc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H8.C5HCl6N3/c1-2-8-6-4-3-5-7-8;6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h2-7H,1H2;1H
InChIKeyDATUZYAFBTZBNV-UHFFFAOYSA-N
MW419.95 g/mol
LogP5.85
Rot. Bonds1

About 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene

2,4-bis(trichloromethyl)-1,3,5-triazine;styrene (PubChem CID 143216242) has the molecular formula C13H9Cl6N3 and a molecular weight of 419.95 g/mol. Its IUPAC name is 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene.

Molecular Properties

Compound Name2,4-bis(trichloromethyl)-1,3,5-triazine;styrene
PubChem CID143216242
Molecular FormulaC13H9Cl6N3
Molecular Weight419.95 g/mol
Exact Mass416.89
IUPAC Name2,4-bis(trichloromethyl)-1,3,5-triazine;styrene
SMILESC=Cc1ccccc1.ClC(Cl)(Cl)c1ncnc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C8H8.C5HCl6N3/c1-2-8-6-4-3-5-7-8;6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h2-7H,1H2;1H
InChIKeyDATUZYAFBTZBNV-UHFFFAOYSA-N
XLogP5.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene?
The IUPAC name of 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene (CID 143216242) is 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene.
What is the SMILES notation for 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene?
The canonical SMILES for 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene is C=Cc1ccccc1.ClC(Cl)(Cl)c1ncnc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene?
The InChIKey is DATUZYAFBTZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5HCl6N3/c1-2-8-6-4-3-5-7-8;6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h2-7H,1H2;1H.
What are the key properties of 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene?
2,4-bis(trichloromethyl)-1,3,5-triazine;styrene has a molecular weight of 419.95 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trichloromethyl)-1,3,5-triazine;styrene is sourced from PubChem (CID 143216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).