N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C11H14F6N4O2 — CID 3241353

IUPACN-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCC(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H14F6N4O2/c1-3-6(2)18-7-19-8(22-4-10(12,13)14)21-9(20-7)23-5-11(15,16)17/h6H,3-5H2,1-2H3,(H,18,19,20,21)
InChIKeyYSRCFANKRLGEPS-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.96
Rot. Bonds7

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

N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 3241353) has the molecular formula C11H14F6N4O2 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID3241353
Molecular FormulaC11H14F6N4O2
Molecular Weight348.25 g/mol
Exact Mass348.10
IUPAC NameN-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCC(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H14F6N4O2/c1-3-6(2)18-7-19-8(22-4-10(12,13)14)21-9(20-7)23-5-11(15,16)17/h6H,3-5H2,1-2H3,(H,18,19,20,21)
InChIKeyYSRCFANKRLGEPS-UHFFFAOYSA-N
XLogP2.96
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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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Related Compounds

6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-tert-butyl-amine
CID 630512
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
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306
Ammiline
CID 186157
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-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
N-cyclohexyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 550625

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 3241353) is N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCC(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is YSRCFANKRLGEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N4O2/c1-3-6(2)18-7-19-8(22-4-10(12,13)14)21-9(20-7)23-5-11(15,16)17/h6H,3-5H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-butan-2-yl-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, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3241353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).