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

C13H12F12N4O2 — CID 3094334

IUPACN-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCC(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H12F12N4O2/c1-3-4(2)26-7-27-8(30-5(10(14,15)16)11(17,18)19)29-9(28-7)31-6(12(20,21)22)13(23,24)25/h4-6H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyNFPWHTJKODJTTN-UHFFFAOYSA-N
MW484.24 g/mol
LogP4.83
Rot. Bonds7

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

N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 3094334) has the molecular formula C13H12F12N4O2 and a molecular weight of 484.24 g/mol. Its IUPAC name is N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID3094334
Molecular FormulaC13H12F12N4O2
Molecular Weight484.24 g/mol
Exact Mass484.08
IUPAC NameN-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCC(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H12F12N4O2/c1-3-4(2)26-7-27-8(30-5(10(14,15)16)11(17,18)19)29-9(28-7)31-6(12(20,21)22)13(23,24)25/h4-6H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyNFPWHTJKODJTTN-UHFFFAOYSA-N
XLogP4.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.24
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-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

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
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
N-tert-butyl-N'-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 879069
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
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
(Methylpropyl){4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy](1,3,5-triazin-2-yl)}amine
CID 3094637
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-butyl-amine
CID 627767

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 3094334) is N-butan-2-yl-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-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CCC(C)Nc1nc(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-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is NFPWHTJKODJTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F12N4O2/c1-3-4(2)26-7-27-8(30-5(10(14,15)16)11(17,18)19)29-9(28-7)31-6(12(20,21)22)13(23,24)25/h4-6H,3H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-butan-2-yl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 484.24 g/mol, XLogP of 4.83, 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(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3094334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).