2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine

C21H10Cl2F3N3 — CID 5297768

IUPAC2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)nc(-c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H10Cl2F3N3/c22-14-7-13(8-15(23)10-14)21-28-19(11-1-4-16(24)5-2-11)27-20(29-21)12-3-6-17(25)18(26)9-12/h1-10H
InChIKeyNAMCQJMWEGRZRK-UHFFFAOYSA-N
MW432.23 g/mol
LogP6.60
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine

2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine (PubChem CID 5297768) has the molecular formula C21H10Cl2F3N3 and a molecular weight of 432.23 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
PubChem CID5297768
Molecular FormulaC21H10Cl2F3N3
Molecular Weight432.23 g/mol
Exact Mass431.02
IUPAC Name2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)nc(-c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H10Cl2F3N3/c22-14-7-13(8-15(23)10-14)21-28-19(11-1-4-16(24)5-2-11)27-20(29-21)12-3-6-17(25)18(26)9-12/h1-10H
InChIKeyNAMCQJMWEGRZRK-UHFFFAOYSA-N
XLogP6.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine (CID 5297768) is 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)nc(-c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is NAMCQJMWEGRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Cl2F3N3/c22-14-7-13(8-15(23)10-14)21-28-19(11-1-4-16(24)5-2-11)27-20(29-21)12-3-6-17(25)18(26)9-12/h1-10H.
What are the key properties of 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 432.23 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4-(3,4-difluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 5297768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).