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

C13H12F12N4O2 — CID 3942678

IUPACN-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(C)(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/c1-9(2,3)29-6-26-7(30-4(10(14,15)16)11(17,18)19)28-8(27-6)31-5(12(20,21)22)13(23,24)25/h4-5H,1-3H3,(H,26,27,28,29)
InChIKeyBTFYLHNQCIDRAU-UHFFFAOYSA-N
MW484.24 g/mol
LogP4.83
Rot. Bonds5

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

N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 3942678) has the molecular formula C13H12F12N4O2 and a molecular weight of 484.24 g/mol. Its IUPAC name is N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID3942678
Molecular FormulaC13H12F12N4O2
Molecular Weight484.24 g/mol
Exact Mass484.08
IUPAC NameN-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(C)(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/c1-9(2,3)29-6-26-7(30-4(10(14,15)16)11(17,18)19)28-8(27-6)31-5(12(20,21)22)13(23,24)25/h4-5H,1-3H3,(H,26,27,28,29)
InChIKeyBTFYLHNQCIDRAU-UHFFFAOYSA-N
XLogP4.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 3942678) is N-tert-butyl-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-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CC(C)(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-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is BTFYLHNQCIDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F12N4O2/c1-9(2,3)29-6-26-7(30-4(10(14,15)16)11(17,18)19)28-8(27-6)31-5(12(20,21)22)13(23,24)25/h4-5H,1-3H3,(H,26,27,28,29).
What are the key properties of N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-tert-butyl-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, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3942678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).