2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine

C57H66F48N6O12 — CID 58841542

About 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 58841542) has the molecular formula C57H66F48N6O12 and a molecular weight of 1939.09 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 58841542
• Molecular Formula: C57H66F48N6O12
• Molecular Weight: 1939.09 g/mol
• Exact Mass: 1938.40
• IUPAC Name: 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)nc(NCCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)n1
• InChI: InChI=1S/C57H66F48N6O12/c58-31(59)40(70,71)46(82,83)52(94,95)55(100,101)49(88,89)43(76,77)37(64,65)28-121-25-22-118-19-16-115-13-10-112-7-1-4-106-34-109-35(107-5-2-8-113-11-14-116-17-20-119-23-26-122-29-38(66,67)44(78,79)50(90,91)56(102,103)53(96,97)47(84,85)41(72,73)32(60)61)111-36(110-34)108-6-3-9-114-12-15-117-18-21-120-24-27-123-30-39(68,69)45(80,81)51(92,93)57(104,105)54(98,99)48(86,87)42(74,75)33(62)63/h31-33H,1-30H2,(H3,106,107,108,109,110,111)
• InChIKey: ZEYQHKCHBIWZLX-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 185.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 69
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.09
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine (CID 58841542) is 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCOCCOCCOCCCNc1nc(NCCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)nc(NCCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)n1.

What is the InChIKey of 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is ZEYQHKCHBIWZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H66F48N6O12/c58-31(59)40(70,71)46(82,83)52(94,95)55(100,101)49(88,89)43(76,77)37(64,65)28-121-25-22-118-19-16-115-13-10-112-7-1-4-106-34-109-35(107-5-2-8-113-11-14-116-17-20-119-23-26-122-29-38(66,67)44(78,79)50(90,91)56(102,103)53(96,97)47(84,85)41(72,73)32(60)61)111-36(110-34)108-6-3-9-114-12-15-117-18-21-120-24-27-123-30-39(68,69)45(80,81)51(92,93)57(104,105)54(98,99)48(86,87)42(74,75)33(62)63/h31-33H,1-30H2,(H3,106,107,108,109,110,111).

What are the key properties of 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine?

2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1939.09 g/mol, XLogP of 16.61, 69 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,6-N-tris[3-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58841542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).