2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine

C9H6F9N3O3 — CID 3091708

IUPAC2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H6F9N3O3/c10-7(11,12)1-22-4-19-5(23-2-8(13,14)15)21-6(20-4)24-3-9(16,17)18/h1-3H2
InChIKeyIZFXCTYTELBHDQ-UHFFFAOYSA-N
MW375.15 g/mol
LogP2.69
Rot. Bonds6

About 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine

2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 3091708) has the molecular formula C9H6F9N3O3 and a molecular weight of 375.15 g/mol. Its IUPAC name is 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID3091708
Molecular FormulaC9H6F9N3O3
Molecular Weight375.15 g/mol
Exact Mass375.03
IUPAC Name2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H6F9N3O3/c10-7(11,12)1-22-4-19-5(23-2-8(13,14)15)21-6(20-4)24-3-9(16,17)18/h1-3H2
InChIKeyIZFXCTYTELBHDQ-UHFFFAOYSA-N
XLogP2.69
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris(2,2,2-trifluoroethoxy)-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

Related Compounds

6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
2,4-Difluoro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 20265325
2-Ethoxy-4,6-difluoro-1,3,5-triazine
CID 20403084
2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 3091708) is 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is IZFXCTYTELBHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F9N3O3/c10-7(11,12)1-22-4-19-5(23-2-8(13,14)15)21-6(20-4)24-3-9(16,17)18/h1-3H2.
What are the key properties of 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 375.15 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 3091708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).