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

C10H14F3N3 — CID 170026549

IUPAC2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCCc1nc(C(C)(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3/c1-5-6-14-7(9(2,3)4)16-8(15-6)10(11,12)13/h5H2,1-4H3
InChIKeyWOXZKQRYJZZEAD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.75
Rot. Bonds1

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

2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 170026549) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID170026549
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCCc1nc(C(C)(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3/c1-5-6-14-7(9(2,3)4)16-8(15-6)10(11,12)13/h5H2,1-4H3
InChIKeyWOXZKQRYJZZEAD-UHFFFAOYSA-N
XLogP2.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-4-ethyl-6-(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-ethyl-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine (CID 170026549) is 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine is CCc1nc(C(C)(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is WOXZKQRYJZZEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-5-6-14-7(9(2,3)4)16-8(15-6)10(11,12)13/h5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine?
2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 233.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 170026549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).