1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine

C13H12F12N4O2 — CID 21157433

IUPAC1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H12F12N4O2/c1-9(2,26)3-4-27-7(30-5(10(14,15)16)11(17,18)19)29-8(28-4)31-6(12(20,21)22)13(23,24)25/h5-6H,3,26H2,1-2H3
InChIKeyCRYJQEQFUDOHDL-UHFFFAOYSA-N
MW484.24 g/mol
LogP3.90
Rot. Bonds6

About 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine

1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine (PubChem CID 21157433) has the molecular formula C13H12F12N4O2 and a molecular weight of 484.24 g/mol. Its IUPAC name is 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine
PubChem CID21157433
Molecular FormulaC13H12F12N4O2
Molecular Weight484.24 g/mol
Exact Mass484.08
IUPAC Name1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H12F12N4O2/c1-9(2,26)3-4-27-7(30-5(10(14,15)16)11(17,18)19)29-8(28-4)31-6(12(20,21)22)13(23,24)25/h5-6H,3,26H2,1-2H3
InChIKeyCRYJQEQFUDOHDL-UHFFFAOYSA-N
XLogP3.90
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine (CID 21157433) is 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine is CC(C)(N)Cc1nc(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 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine?
The InChIKey is CRYJQEQFUDOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F12N4O2/c1-9(2,26)3-4-27-7(30-5(10(14,15)16)11(17,18)19)29-8(28-4)31-6(12(20,21)22)13(23,24)25/h5-6H,3,26H2,1-2H3.
What are the key properties of 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine?
1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine has a molecular weight of 484.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 21157433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).