N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C11H8F12N4O2 — CID 549848

IUPACN-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11H8F12N4O2/c1-2-24-5-25-6(28-3(8(12,13)14)9(15,16)17)27-7(26-5)29-4(10(18,19)20)11(21,22)23/h3-4H,2H2,1H3,(H,24,25,26,27)
InChIKeyVELOXGDSBRTOKY-UHFFFAOYSA-N
MW456.19 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine

N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 549848) has the molecular formula C11H8F12N4O2 and a molecular weight of 456.19 g/mol. Its IUPAC name is N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID549848
Molecular FormulaC11H8F12N4O2
Molecular Weight456.19 g/mol
Exact Mass456.05
IUPAC NameN-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11H8F12N4O2/c1-2-24-5-25-6(28-3(8(12,13)14)9(15,16)17)27-7(26-5)29-4(10(18,19)20)11(21,22)23/h3-4H,2H2,1H3,(H,24,25,26,27)
InChIKeyVELOXGDSBRTOKY-UHFFFAOYSA-N
XLogP4.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-tert-butyl-amine
CID 630512
N-Methyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 625950
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
s-Triazine, 2,4-bis(ethylamino)-6-isopropoxy-
CID 3057068
N-tert-butyl-N'-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 879069
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
N-cyclohexyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 550625
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 549848) is N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is VELOXGDSBRTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F12N4O2/c1-2-24-5-25-6(28-3(8(12,13)14)9(15,16)17)27-7(26-5)29-4(10(18,19)20)11(21,22)23/h3-4H,2H2,1H3,(H,24,25,26,27).
What are the key properties of N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 456.19 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 549848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).