4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine

C24H15Cl2F5N6O — CID 123808897

About 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine

4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine (PubChem CID 123808897) has the molecular formula C24H15Cl2F5N6O and a molecular weight of 569.32 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine
• PubChem CID: 123808897
• Molecular Formula: C24H15Cl2F5N6O
• Molecular Weight: 569.32 g/mol
• Exact Mass: 568.06
• IUPAC Name: 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine
• SMILES: Fc1cccc(Cl)c1-c1nc(/N=N/Cc2ccc(OC(F)(F)C(F)F)cc2)nc(Nc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C24H15Cl2F5N6O/c25-14-6-8-15(9-7-14)33-22-34-20(19-17(26)2-1-3-18(19)27)35-23(36-22)37-32-12-13-4-10-16(11-5-13)38-24(30,31)21(28)29/h1-11,21H,12H2,(H,33,34,35,36)/b37-32+
• InChIKey: QPQQWJZHDGFOBC-BQNXFWFHSA-N
• XLogP: 8.25
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.32
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine (CID 123808897) is 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine is Fc1cccc(Cl)c1-c1nc(/N=N/Cc2ccc(OC(F)(F)C(F)F)cc2)nc(Nc2ccc(Cl)cc2)n1.

What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine?

The InChIKey is QPQQWJZHDGFOBC-BQNXFWFHSA-N. The full InChI is InChI=1S/C24H15Cl2F5N6O/c25-14-6-8-15(9-7-14)33-22-34-20(19-17(26)2-1-3-18(19)27)35-23(36-22)37-32-12-13-4-10-16(11-5-13)38-24(30,31)21(28)29/h1-11,21H,12H2,(H,33,34,35,36)/b37-32+.

What are the key properties of 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine?

4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine has a molecular weight of 569.32 g/mol, XLogP of 8.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-6-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 123808897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).