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

C16H10F20N4 — CID 557753

IUPACN-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-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)C(F)(F)F)n1
InChIInChI=1S/C16H10F20N4/c1-7(2,3)40-6-38-4(8(11(19,20)21,12(22,23)24)10(17,18)16(34,35)36)37-5(39-6)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-3H3,(H,37,38,39,40)
InChIKeyBKUXEWYZWWAQST-UHFFFAOYSA-N
MW638.24 g/mol
LogP7.57
Rot. Bonds4

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

N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 557753) has the molecular formula C16H10F20N4 and a molecular weight of 638.24 g/mol. Its IUPAC name is N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine
PubChem CID557753
Molecular FormulaC16H10F20N4
Molecular Weight638.24 g/mol
Exact Mass638.06
IUPAC NameN-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-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)C(F)(F)F)n1
InChIInChI=1S/C16H10F20N4/c1-7(2,3)40-6-38-4(8(11(19,20)21,12(22,23)24)10(17,18)16(34,35)36)37-5(39-6)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-3H3,(H,37,38,39,40)
InChIKeyBKUXEWYZWWAQST-UHFFFAOYSA-N
XLogP7.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.24
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-6-(trifluoromethyl)-
CID 3041966
2-(Dipropylamino)-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 536260
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
1,3,5-Triazine, 2-tert-butylamino-4,6-bis(perfluoro-tert-butyl)-
CID 636024
4-Tert-butyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964696
2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
CID 158454495

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine (CID 557753) is N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-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)C(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is BKUXEWYZWWAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F20N4/c1-7(2,3)40-6-38-4(8(11(19,20)21,12(22,23)24)10(17,18)16(34,35)36)37-5(39-6)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-3H3,(H,37,38,39,40).
What are the key properties of N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine?
N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 638.24 g/mol, XLogP of 7.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 557753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).