2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine

C27F51N3O6 — CID 12568339

About 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine

2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine (PubChem CID 12568339) has the molecular formula C27F51N3O6 and a molecular weight of 1431.21 g/mol. Its IUPAC name is 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine
• PubChem CID: 12568339
• Molecular Formula: C27F51N3O6
• Molecular Weight: 1431.21 g/mol
• Exact Mass: 1430.90
• IUPAC Name: 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine
• SMILES: FC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1nc(C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc(C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)n1
• InChI: InChI=1S/C27F51N3O6/c28-4(13(40,41)42,82-25(73,74)10(37,19(58,59)60)85-22(67,68)7(31,32)16(49,50)51)1-79-2(5(29,14(43,44)45)83-26(75,76)11(38,20(61,62)63)86-23(69,70)8(33,34)17(52,53)54)81-3(80-1)6(30,15(46,47)48)84-27(77,78)12(39,21(64,65)66)87-24(71,72)9(35,36)18(55,56)57
• InChIKey: RPXSHSGOEDLBKR-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 94.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.21
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine?

The IUPAC name of 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine (CID 12568339) is 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine.

What is the SMILES notation for 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine?

The canonical SMILES for 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine is FC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1nc(C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc(C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)n1.

What is the InChIKey of 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine?

The InChIKey is RPXSHSGOEDLBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27F51N3O6/c28-4(13(40,41)42,82-25(73,74)10(37,19(58,59)60)85-22(67,68)7(31,32)16(49,50)51)1-79-2(5(29,14(43,44)45)83-26(75,76)11(38,20(61,62)63)86-23(69,70)8(33,34)17(52,53)54)81-3(80-1)6(30,15(46,47)48)84-27(77,78)12(39,21(64,65)66)87-24(71,72)9(35,36)18(55,56)57.

What are the key properties of 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine?

2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine has a molecular weight of 1431.21 g/mol, XLogP of 15.86, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6-tris[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3,5-triazine is sourced from PubChem (CID 12568339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).