4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C11H17F3N4O — CID 103151161

IUPAC4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-10(2,3)8-16-7(17-9(15)18-8)4-5-19-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyDBFAKGNWYSPPDV-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.87
Rot. Bonds4

About 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151161) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151161
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-10(2,3)8-16-7(17-9(15)18-8)4-5-19-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyDBFAKGNWYSPPDV-UHFFFAOYSA-N
XLogP1.87
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.87
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-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151161) is 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is DBFAKGNWYSPPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-10(2,3)8-16-7(17-9(15)18-8)4-5-19-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 278.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).