2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine

C6H6F3N3O — CID 70367298

IUPAC2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine
SMILESCCOc1ncnc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-2-13-5-11-3-10-4(12-5)6(7,8)9/h3H,2H2,1H3
InChIKeyXMVLDAMXBTUDPJ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.29
Rot. Bonds2

About 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine

2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine (PubChem CID 70367298) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine
PubChem CID70367298
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine
SMILESCCOc1ncnc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-2-13-5-11-3-10-4(12-5)6(7,8)9/h3H,2H2,1H3
InChIKeyXMVLDAMXBTUDPJ-UHFFFAOYSA-N
XLogP1.29
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-
CID 199947
2-Methoxy-4-methyl-1,3,5-triazine
CID 20209883
2-Methoxy-4-(trifluoromethyl)-1,3,5-triazine
CID 17911598
2-(Fluoromethyl)-4-methoxy-1,3,5-triazine
CID 20133977
N,N,4-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 20652999
2-Chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 20702269
4-(2,2-difluoroethoxy)-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 20713449
2-Chloro-1,4-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-1-ium
CID 123624110
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 151285751
2,4-Dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 162560897
2-Ethoxy-4-methyl-1,3,5-triazine
CID 18953275
2-Methyl-4-propan-2-yloxy-1,3,5-triazine
CID 53823730

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine (CID 70367298) is 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine is CCOc1ncnc(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is XMVLDAMXBTUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-2-13-5-11-3-10-4(12-5)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine?
2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 193.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 70367298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).