N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C11H14F6N4O2 — CID 630512

IUPACN-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H14F6N4O2/c1-9(2,3)21-6-18-7(22-4-10(12,13)14)20-8(19-6)23-5-11(15,16)17/h4-5H2,1-3H3,(H,18,19,20,21)
InChIKeyQTJPMFLXDKKYPP-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.96
Rot. Bonds5

About N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 630512) has the molecular formula C11H14F6N4O2 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID630512
Molecular FormulaC11H14F6N4O2
Molecular Weight348.25 g/mol
Exact Mass348.10
IUPAC NameN-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H14F6N4O2/c1-9(2,3)21-6-18-7(22-4-10(12,13)14)20-8(19-6)23-5-11(15,16)17/h4-5H2,1-3H3,(H,18,19,20,21)
InChIKeyQTJPMFLXDKKYPP-UHFFFAOYSA-N
XLogP2.96
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 630512) is N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is QTJPMFLXDKKYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N4O2/c1-9(2,3)21-6-18-7(22-4-10(12,13)14)20-8(19-6)23-5-11(15,16)17/h4-5H2,1-3H3,(H,18,19,20,21).
What are the key properties of N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 348.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 630512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).