2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

C19H15F6N3 — CID 12520988

IUPAC2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C19H15F6N3/c1-11-3-7-13(8-4-11)15-26-16(14-9-5-12(2)6-10-14)28-17(27-15,18(20,21)22)19(23,24)25/h3-10H,1-2H3,(H,26,27,28)
InChIKeyUZDYULLTALYVTF-UHFFFAOYSA-N
MW399.34 g/mol
LogP4.92
Rot. Bonds2

About 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (PubChem CID 12520988) has the molecular formula C19H15F6N3 and a molecular weight of 399.34 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
PubChem CID12520988
Molecular FormulaC19H15F6N3
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC Name2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C19H15F6N3/c1-11-3-7-13(8-4-11)15-26-16(14-9-5-12(2)6-10-14)28-17(27-15,18(20,21)22)19(23,24)25/h3-10H,1-2H3,(H,26,27,28)
InChIKeyUZDYULLTALYVTF-UHFFFAOYSA-N
XLogP4.92
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The IUPAC name of 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (CID 12520988) is 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The canonical SMILES for 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(C)cc3)N2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The InChIKey is UZDYULLTALYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3/c1-11-3-7-13(8-4-11)15-26-16(14-9-5-12(2)6-10-14)28-17(27-15,18(20,21)22)19(23,24)25/h3-10H,1-2H3,(H,26,27,28).
What are the key properties of 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine has a molecular weight of 399.34 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is sourced from PubChem (CID 12520988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).