nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide

C57H29AlF29N — CID 22637886

About nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide

nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide (PubChem CID 22637886) has the molecular formula C57H29AlF29N and a molecular weight of 1305.79 g/mol. Its IUPAC name is nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide.

Molecular Properties

• Compound Name: nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide
• PubChem CID: 22637886
• Molecular Formula: C57H29AlF29N
• Molecular Weight: 1305.79 g/mol
• Exact Mass: 1305.17
• IUPAC Name: nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide
• SMILES: CCCCCCCCC[NH+](c1ccccc1)C(F)(F)C(F)(F)F.Fc1cc2c([Al-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c(F)c(F)c(F)c2c(F)c1F
• InChI: InChI=1S/C17H24F5N.4C10HF6.Al/c1-2-3-4-5-6-7-11-14-23(15-12-9-8-10-13-15)17(21,22)16(18,19)20;4*11-4-1-3-2-5(12)8(14)10(16)6(3)9(15)7(4)13;/h8-10,12-13H,2-7,11,14H2,1H3;4*1H;/q;;;;;-1/p+1
• InChIKey: VBWQBUGFWMMCHW-UHFFFAOYSA-O
• XLogP: 16.12
• TPSA: 4.44 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.79
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide?

The IUPAC name of nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide (CID 22637886) is nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide.

What is the SMILES notation for nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide?

The canonical SMILES for nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide is CCCCCCCCC[NH+](c1ccccc1)C(F)(F)C(F)(F)F.Fc1cc2c([Al-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c(F)c(F)c(F)c2c(F)c1F.

What is the InChIKey of nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide?

The InChIKey is VBWQBUGFWMMCHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24F5N.4C10HF6.Al/c1-2-3-4-5-6-7-11-14-23(15-12-9-8-10-13-15)17(21,22)16(18,19)20;4*11-4-1-3-2-5(12)8(14)10(16)6(3)9(15)7(4)13;/h8-10,12-13H,2-7,11,14H2,1H3;4*1H;/q;;;;;-1/p+1.

What are the key properties of nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide?

nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide has a molecular weight of 1305.79 g/mol, XLogP of 16.12, 14 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide is sourced from PubChem (CID 22637886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).