9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane

C18H20F22N2Si — CID 172693131

About 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane

9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane (PubChem CID 172693131) has the molecular formula C18H20F22N2Si and a molecular weight of 710.41 g/mol. Its IUPAC name is 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane.

Molecular Properties

• Compound Name: 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane
• PubChem CID: 172693131
• Molecular Formula: C18H20F22N2Si
• Molecular Weight: 710.41 g/mol
• Exact Mass: 710.10
• IUPAC Name: 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane
• SMILES: N[Si](N)(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C18H20F22N2Si/c19-9(20,11(23,24)13(27,28)15(31,32)17(35,36)37)5-1-3-7-43(41,42)8-4-2-6-10(21,22)12(25,26)14(29,30)16(33,34)18(38,39)40/h1-8,41-42H2
• InChIKey: BYKHHTLQKAINJE-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.41
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane?

The IUPAC name of 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane (CID 172693131) is 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane.

What is the SMILES notation for 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane?

The canonical SMILES for 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane is N[Si](N)(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane?

The InChIKey is BYKHHTLQKAINJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F22N2Si/c19-9(20,11(23,24)13(27,28)15(31,32)17(35,36)37)5-1-3-7-43(41,42)8-4-2-6-10(21,22)12(25,26)14(29,30)16(33,34)18(38,39)40/h1-8,41-42H2.

What are the key properties of 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane?

9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane has a molecular weight of 710.41 g/mol, XLogP of 8.89, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[diamino(5,5,6,6,7,7,8,8,9,9,9-undecafluorononyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluorononane is sourced from PubChem (CID 172693131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).