4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C5H5F3N4O — CID 140573842

IUPAC4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESNc1ncnc(OCC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)1-13-4-11-2-10-3(9)12-4/h2H,1H2,(H2,9,10,11,12)
InChIKeyJYPSSQSIMVBTCW-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.39
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 140573842) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID140573842
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESNc1ncnc(OCC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)1-13-4-11-2-10-3(9)12-4/h2H,1H2,(H2,9,10,11,12)
InChIKeyJYPSSQSIMVBTCW-UHFFFAOYSA-N
XLogP0.39
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 140573842) is 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is Nc1ncnc(OCC(F)(F)F)n1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is JYPSSQSIMVBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)1-13-4-11-2-10-3(9)12-4/h2H,1H2,(H2,9,10,11,12).
What are the key properties of 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 194.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 140573842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).