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]-N-prop-2-enyl-1,3,5-triazin-2-amine

C15H6F20N4 — CID 636155

IUPAC4-[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]-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(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/C15H6F20N4/c1-2-3-36-6-38-4(7(10(18,19)20,11(21,22)23)9(16,17)15(33,34)35)37-5(39-6)8(12(24,25)26,13(27,28)29)14(30,31)32/h2H,1,3H2,(H,36,37,38,39)
InChIKeyOMGXAIRRHUKAGW-UHFFFAOYSA-N
MW622.20 g/mol
LogP6.95
Rot. Bonds6

About 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]-N-prop-2-enyl-1,3,5-triazin-2-amine

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]-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 636155) has the molecular formula C15H6F20N4 and a molecular weight of 622.20 g/mol. Its IUPAC name is 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]-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[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]-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID636155
Molecular FormulaC15H6F20N4
Molecular Weight622.20 g/mol
Exact Mass622.03
IUPAC Name4-[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]-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(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/C15H6F20N4/c1-2-3-36-6-38-4(7(10(18,19)20,11(21,22)23)9(16,17)15(33,34)35)37-5(39-6)8(12(24,25)26,13(27,28)29)14(30,31)32/h2H,1,3H2,(H,36,37,38,39)
InChIKeyOMGXAIRRHUKAGW-UHFFFAOYSA-N
XLogP6.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.20
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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]-N-prop-2-enyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1,3,5-Triazine, 2-allylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 550109

Frequently Asked Questions

What is the IUPAC name of 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]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 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]-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 636155) is 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]-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 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]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 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]-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(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 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]-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is OMGXAIRRHUKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F20N4/c1-2-3-36-6-38-4(7(10(18,19)20,11(21,22)23)9(16,17)15(33,34)35)37-5(39-6)8(12(24,25)26,13(27,28)29)14(30,31)32/h2H,1,3H2,(H,36,37,38,39).
What are the key properties of 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]-N-prop-2-enyl-1,3,5-triazin-2-amine?
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]-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 622.20 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 636155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).