ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide

C55H83AlF21N — CID 18388703

IUPACethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide
SMILESCCCCCCCCC[Al-](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC.CC[NH2+]C(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C15F16.4C9H19.C4H6F5N.Al/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;4*1-3-5-7-9-8-6-4-2;1-2-10-4(8,9)3(5,6)7;/h;4*1,3-9H2,2H3;10H,2H2,1H3;/q;;;;;;-1/p+1
InChIKeyFBDADLVJCUAHOW-UHFFFAOYSA-O
MW1184.22 g/mol
LogP22.30
Rot. Bonds36

About ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide

ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide (PubChem CID 18388703) has the molecular formula C55H83AlF21N and a molecular weight of 1184.22 g/mol. Its IUPAC name is ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide.

Molecular Properties

Compound Nameethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide
PubChem CID18388703
Molecular FormulaC55H83AlF21N
Molecular Weight1184.22 g/mol
Exact Mass1183.60
IUPAC Nameethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide
SMILESCCCCCCCCC[Al-](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC.CC[NH2+]C(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C15F16.4C9H19.C4H6F5N.Al/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;4*1-3-5-7-9-8-6-4-2;1-2-10-4(8,9)3(5,6)7;/h;4*1,3-9H2,2H3;10H,2H2,1H3;/q;;;;;;-1/p+1
InChIKeyFBDADLVJCUAHOW-UHFFFAOYSA-O
XLogP22.30
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.22
LogP ≤ 522.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide?
The IUPAC name of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide (CID 18388703) is ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide.
What is the SMILES notation for ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide?
The canonical SMILES for ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide is CCCCCCCCC[Al-](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC.CC[NH2+]C(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F.
What is the InChIKey of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide?
The InChIKey is FBDADLVJCUAHOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15F16.4C9H19.C4H6F5N.Al/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;4*1-3-5-7-9-8-6-4-2;1-2-10-4(8,9)3(5,6)7;/h;4*1,3-9H2,2H3;10H,2H2,1H3;/q;;;;;;-1/p+1.
What are the key properties of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide?
ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide has a molecular weight of 1184.22 g/mol, XLogP of 22.30, 36 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene;tetra(nonyl)alumanuide is sourced from PubChem (CID 18388703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).