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

C7H9F3N4O — CID 103151153

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)3-15-2-1-5-12-4-13-6(11)14-5/h4H,1-3H2,(H2,11,12,13,14)
InChIKeyRAEYMHGGNIDKMV-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.58
Rot. Bonds4

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

4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151153) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151153
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)3-15-2-1-5-12-4-13-6(11)14-5/h4H,1-3H2,(H2,11,12,13,14)
InChIKeyRAEYMHGGNIDKMV-UHFFFAOYSA-N
XLogP0.58
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151153) is 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1ncnc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is RAEYMHGGNIDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)3-15-2-1-5-12-4-13-6(11)14-5/h4H,1-3H2,(H2,11,12,13,14).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 222.17 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).