2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine

C9H9F6N3 — CID 139574528

IUPAC2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3/c1-7(2,3)4-16-5(8(10,11)12)18-6(17-4)9(13,14)15/h1-3H3
InChIKeyOLAWHUUEIYHEBS-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.21
Rot. Bonds

About 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine

2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 139574528) has the molecular formula C9H9F6N3 and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID139574528
Molecular FormulaC9H9F6N3
Molecular Weight273.18 g/mol
Exact Mass273.07
IUPAC Name2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)(C)c1nc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F6N3/c1-7(2,3)4-16-5(8(10,11)12)18-6(17-4)9(13,14)15/h1-3H3
InChIKeyOLAWHUUEIYHEBS-UHFFFAOYSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-4,6-bis(trifluoromethyl)-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-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine (CID 139574528) is 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine is CC(C)(C)c1nc(C(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is OLAWHUUEIYHEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3/c1-7(2,3)4-16-5(8(10,11)12)18-6(17-4)9(13,14)15/h1-3H3.
What are the key properties of 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine?
2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 273.18 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 139574528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).