N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine

C15H10F18N4 — CID 636024

IUPACN-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C15H10F18N4/c1-7(2,3)37-6-35-4(8(10(16,17)18,11(19,20)21)12(22,23)24)34-5(36-6)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-3H3,(H,34,35,36,37)
InChIKeyPBEYHEYERPGMKL-UHFFFAOYSA-N
MW588.24 g/mol
LogP6.93
Rot. Bonds3

About N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine

N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 636024) has the molecular formula C15H10F18N4 and a molecular weight of 588.24 g/mol. Its IUPAC name is N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
PubChem CID636024
Molecular FormulaC15H10F18N4
Molecular Weight588.24 g/mol
Exact Mass588.06
IUPAC NameN-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C15H10F18N4/c1-7(2,3)37-6-35-4(8(10(16,17)18,11(19,20)21)12(22,23)24)34-5(36-6)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-3H3,(H,34,35,36,37)
InChIKeyPBEYHEYERPGMKL-UHFFFAOYSA-N
XLogP6.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.24
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-6-(trifluoromethyl)-
CID 3041966
1,3,5-Triazine, 2-amino-4,6-bis(nonafluoro-tert-butyl)-
CID 549779
2-(Ethylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 549911
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-methyl-1,3,5-triazin-2-amine
CID 549970
2-(tert-Butylamino)-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 557753
2-(Propylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635903
1,3,5-Triazine, 2-isopropylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 635970
2-Tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 139574528
2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162453114
2-N,6-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 169797087
2-Tert-butyl-4-ethyl-6-(trifluoromethyl)-1,3,5-triazine
CID 170026549
4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine
CID 174944900

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (CID 636024) is N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(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-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is PBEYHEYERPGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F18N4/c1-7(2,3)37-6-35-4(8(10(16,17)18,11(19,20)21)12(22,23)24)34-5(36-6)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-3H3,(H,34,35,36,37).
What are the key properties of N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 588.24 g/mol, XLogP of 6.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 636024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).