4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine

C6H7F3N4O2 — CID 15010395

IUPAC4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O2/c1-2-14-4-11-3(10)12-5(13-4)15-6(7,8)9/h2H2,1H3,(H2,10,11,12,13)
InChIKeyZIWAWNBVESEFLM-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.75
Rot. Bonds3

About 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine

4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 15010395) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID15010395
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O2/c1-2-14-4-11-3(10)12-5(13-4)15-6(7,8)9/h2H2,1H3,(H2,10,11,12,13)
InChIKeyZIWAWNBVESEFLM-UHFFFAOYSA-N
XLogP0.75
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 15010395) is 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(OC(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is ZIWAWNBVESEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c1-2-14-4-11-3(10)12-5(13-4)15-6(7,8)9/h2H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 224.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15010395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).