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

C12H10F12N4O2 — CID 550627

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H10F12N4O2/c1-2-3-25-6-26-7(29-4(9(13,14)15)10(16,17)18)28-8(27-6)30-5(11(19,20)21)12(22,23)24/h4-5H,2-3H2,1H3,(H,25,26,27,28)
InChIKeyDBYJVUZOUAVELP-UHFFFAOYSA-N
MW470.21 g/mol
LogP4.44
Rot. Bonds7

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

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 550627) has the molecular formula C12H10F12N4O2 and a molecular weight of 470.21 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID550627
Molecular FormulaC12H10F12N4O2
Molecular Weight470.21 g/mol
Exact Mass470.06
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H10F12N4O2/c1-2-3-25-6-26-7(29-4(9(13,14)15)10(16,17)18)28-8(27-6)30-5(11(19,20)21)12(22,23)24/h4-5H,2-3H2,1H3,(H,25,26,27,28)
InChIKeyDBYJVUZOUAVELP-UHFFFAOYSA-N
XLogP4.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-Methyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 625950
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
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
s-Triazine, 2,4-bis(ethylamino)-6-isopropoxy-
CID 3057068
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
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
4-(1-Piperazinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3953767

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine (CID 550627) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(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 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is DBYJVUZOUAVELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F12N4O2/c1-2-3-25-6-26-7(29-4(9(13,14)15)10(16,17)18)28-8(27-6)30-5(11(19,20)21)12(22,23)24/h4-5H,2-3H2,1H3,(H,25,26,27,28).
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 470.21 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 550627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).