2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine

C7H5Cl6N3 — CID 19198

IUPAC2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H5Cl6N3/c1-2-3-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h2H2,1H3
InChIKeyGUUAOSSDSPBIJR-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.09
Rot. Bonds1

About 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 19198) has the molecular formula C7H5Cl6N3 and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID19198
Molecular FormulaC7H5Cl6N3
Molecular Weight343.86 g/mol
Exact Mass340.86
IUPAC Name2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H5Cl6N3/c1-2-3-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h2H2,1H3
InChIKeyGUUAOSSDSPBIJR-UHFFFAOYSA-N
XLogP4.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 19198) is 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine is CCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is GUUAOSSDSPBIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl6N3/c1-2-3-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h2H2,1H3.
What are the key properties of 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 343.86 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 19198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).