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

C17H10F7N3 — CID 6426326

IUPAC2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C17H10F7N3/c18-12-8-6-11(7-9-12)14-25-13(10-4-2-1-3-5-10)26-15(27-14,16(19,20)21)17(22,23)24/h1-9H,(H,25,26,27)
InChIKeyGUNHQXCCGHBKGA-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.44
Rot. Bonds2

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

2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (PubChem CID 6426326) has the molecular formula C17H10F7N3 and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
PubChem CID6426326
Molecular FormulaC17H10F7N3
Molecular Weight389.27 g/mol
Exact Mass389.08
IUPAC Name2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C17H10F7N3/c18-12-8-6-11(7-9-12)14-25-13(10-4-2-1-3-5-10)26-15(27-14,16(19,20)21)17(22,23)24/h1-9H,(H,25,26,27)
InChIKeyGUNHQXCCGHBKGA-UHFFFAOYSA-N
XLogP4.44
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (CID 6426326) is 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is Fc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The InChIKey is GUNHQXCCGHBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F7N3/c18-12-8-6-11(7-9-12)14-25-13(10-4-2-1-3-5-10)26-15(27-14,16(19,20)21)17(22,23)24/h1-9H,(H,25,26,27).
What are the key properties of 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine has a molecular weight of 389.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is sourced from PubChem (CID 6426326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).