2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

C78H27BrCl45F6N21 — CID 158442097

About 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 158442097) has the molecular formula C78H27BrCl45F6N21 and a molecular weight of 3047.50 g/mol. Its IUPAC name is 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
• PubChem CID: 158442097
• Molecular Formula: C78H27BrCl45F6N21
• Molecular Weight: 3047.50 g/mol
• Exact Mass: 3023.78
• IUPAC Name: 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
• SMILES: ClC(Cl)(Cl)c1nc(-c2ccc(Br)cc2)nc(C(Cl)(Cl)Cl)n1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Clc1ccc(-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.FC(F)(F)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Fc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
• InChI: InChI=1S/C12H4Cl6F3N3.C11H4BrCl6N3.C11H3Cl8N3.C11H4Cl7N3.C11H3Cl6F2N3.C11H4Cl6FN3.C11H5Cl6N3/c13-10(14,15)8-22-7(23-9(24-8)11(16,17)18)5-1-3-6(4-2-5)12(19,20)21;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(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;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-19-7(5-1-3-6(18)4-2-5)20-9(21-8)11(15,16)17;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h1-4H;1-4H;1-3H;1-4H;1-3H;1-4H;1-5H
• InChIKey: HCYFWSMTWCOQIZ-UHFFFAOYSA-N
• XLogP: 40.50
• TPSA: 270.69 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3047.50
LogP ≤ 5	40.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The IUPAC name of 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 158442097) is 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

What is the SMILES notation for 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The canonical SMILES for 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1nc(-c2ccc(Br)cc2)nc(C(Cl)(Cl)Cl)n1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Clc1ccc(-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.FC(F)(F)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Fc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.

What is the InChIKey of 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The InChIKey is HCYFWSMTWCOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6F3N3.C11H4BrCl6N3.C11H3Cl8N3.C11H4Cl7N3.C11H3Cl6F2N3.C11H4Cl6FN3.C11H5Cl6N3/c13-10(14,15)8-22-7(23-9(24-8)11(16,17)18)5-1-3-6(4-2-5)12(19,20)21;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(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;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-19-7(5-1-3-6(18)4-2-5)20-9(21-8)11(15,16)17;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h1-4H;1-4H;1-3H;1-4H;1-3H;1-4H;1-5H.

What are the key properties of 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 3047.50 g/mol, XLogP of 40.50, 7 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2-(4-bromophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-chlorophenyl)-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-fluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 158442097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).