ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide

C58H75AlF35N — CID 22638085

About ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide

ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide (PubChem CID 22638085) has the molecular formula C58H75AlF35N and a molecular weight of 1478.16 g/mol. Its IUPAC name is ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide.

Molecular Properties

• Compound Name: ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide
• PubChem CID: 22638085
• Molecular Formula: C58H75AlF35N
• Molecular Weight: 1478.16 g/mol
• Exact Mass: 1477.52
• IUPAC Name: ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide
• SMILES: CCCC(C)C[NH2+]CC.CCCCCCC(F)(F)C(F)(F)C(F)(F)[Al-](C(F)(F)C(F)(F)C(F)(F)CCCCCC)(C(F)(F)C(F)(F)C(F)(F)CCCCCC)C(F)(F)C(F)(F)C(F)(F)CCCCCC.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C14H3F11.4C9H13F6.C8H19N.Al/c1-2-3(4-7(16)11(20)13(22)12(21)8(4)17)5(14(23,24)25)9(18)10(19)6(2)15;4*1-2-3-4-5-6-8(12,13)9(14,15)7(10)11;1-4-6-8(3)7-9-5-2;/h1H3;4*2-6H2,1H3;8-9H,4-7H2,1-3H3;/q;;;;;;-1/p+1
• InChIKey: OPDWHXYMPUHEHV-UHFFFAOYSA-O
• XLogP: 23.90
• TPSA: 16.61 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 38
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1478.16
LogP ≤ 5	23.90
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_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide?

The IUPAC name of ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide (CID 22638085) is ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide.

What is the SMILES notation for ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide?

The canonical SMILES for ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide is CCCC(C)C[NH2+]CC.CCCCCCC(F)(F)C(F)(F)C(F)(F)[Al-](C(F)(F)C(F)(F)C(F)(F)CCCCCC)(C(F)(F)C(F)(F)C(F)(F)CCCCCC)C(F)(F)C(F)(F)C(F)(F)CCCCCC.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide?

The InChIKey is OPDWHXYMPUHEHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H3F11.4C9H13F6.C8H19N.Al/c1-2-3(4-7(16)11(20)13(22)12(21)8(4)17)5(14(23,24)25)9(18)10(19)6(2)15;4*1-2-3-4-5-6-8(12,13)9(14,15)7(10)11;1-4-6-8(3)7-9-5-2;/h1H3;4*2-6H2,1H3;8-9H,4-7H2,1-3H3;/q;;;;;;-1/p+1.

What are the key properties of ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide?

ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide has a molecular weight of 1478.16 g/mol, XLogP of 23.90, 38 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide is sourced from PubChem (CID 22638085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).