5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine

C16H9F4N3O — CID 6411594

IUPAC5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
SMILESFc1ccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1
InChIInChI=1S/C16H9F4N3O/c17-11-6-8-12(9-7-11)24-15-13(16(18,19)20)22-23-14(21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyZCXCSWSVWOMVAN-UHFFFAOYSA-N
MW335.26 g/mol
LogP4.49
Rot. Bonds3

About 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine

5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (PubChem CID 6411594) has the molecular formula C16H9F4N3O and a molecular weight of 335.26 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
PubChem CID6411594
Molecular FormulaC16H9F4N3O
Molecular Weight335.26 g/mol
Exact Mass335.07
IUPAC Name5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
SMILESFc1ccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1
InChIInChI=1S/C16H9F4N3O/c17-11-6-8-12(9-7-11)24-15-13(16(18,19)20)22-23-14(21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyZCXCSWSVWOMVAN-UHFFFAOYSA-N
XLogP4.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-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 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (CID 6411594) is 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is Fc1ccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1.
What is the InChIKey of 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is ZCXCSWSVWOMVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O/c17-11-6-8-12(9-7-11)24-15-13(16(18,19)20)22-23-14(21-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine?
5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine has a molecular weight of 335.26 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 6411594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).