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

C22H12Cl2F3N3 — CID 102481553

IUPAC2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3Cl)nc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H12Cl2F3N3/c23-17-7-3-1-5-15(17)20-28-19(13-9-11-14(12-10-13)22(25,26)27)29-21(30-20)16-6-2-4-8-18(16)24/h1-12H
InChIKeyDIWMXSPWLIWBSR-UHFFFAOYSA-N
MW446.26 g/mol
LogP7.20
Rot. Bonds3

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

2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 102481553) has the molecular formula C22H12Cl2F3N3 and a molecular weight of 446.26 g/mol. Its IUPAC name is 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID102481553
Molecular FormulaC22H12Cl2F3N3
Molecular Weight446.26 g/mol
Exact Mass445.04
IUPAC Name2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3Cl)nc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H12Cl2F3N3/c23-17-7-3-1-5-15(17)20-28-19(13-9-11-14(12-10-13)22(25,26)27)29-21(30-20)16-6-2-4-8-18(16)24/h1-12H
InChIKeyDIWMXSPWLIWBSR-UHFFFAOYSA-N
XLogP7.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.26
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
Kyaphenine
CID 10305
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
CID 30851
2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 15850059
6-(3-Chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730457
2'-CL-5'-Fluorobenzoguanamine
CID 12852442
2,4,6-Tris(4-chlorophenyl)-1,3,5-triazine
CID 18373
2-Trifluoromethyl-4,6-diphenyl-1,3,5-triazine
CID 12535292
2,4,6-Tris(4-fluorophenyl)-1,3,5-triazine
CID 58752538
2-Chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 35667

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 102481553) is 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is FC(F)(F)c1ccc(-c2nc(-c3ccccc3Cl)nc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is DIWMXSPWLIWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2F3N3/c23-17-7-3-1-5-15(17)20-28-19(13-9-11-14(12-10-13)22(25,26)27)29-21(30-20)16-6-2-4-8-18(16)24/h1-12H.
What are the key properties of 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 446.26 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 102481553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).