2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

C34H13Cl20F2N9 — CID 91351999

About 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 91351999) has the molecular formula C34H13Cl20F2N9 and a molecular weight of 1294.60 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
• PubChem CID: 91351999
• Molecular Formula: C34H13Cl20F2N9
• Molecular Weight: 1294.60 g/mol
• Exact Mass: 1284.50
• IUPAC Name: 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
• SMILES: Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Clc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
• InChI: InChI=1S/C12H7Cl6N3.C11H3Cl8N3.C11H3Cl6F2N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19/h2-5H,1H3;2*1-3H
• InChIKey: DLGVVELEOFXZRN-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1294.60
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

The IUPAC name of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 91351999) is 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

What is the SMILES notation for 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

The canonical SMILES for 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Clc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.

What is the InChIKey of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

The InChIKey is DLGVVELEOFXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl6N3.C11H3Cl8N3.C11H3Cl6F2N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19/h2-5H,1H3;2*1-3H.

What are the key properties of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 1294.60 g/mol, XLogP of 17.47, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 91351999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).