lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide

C36H20AlF24LiO4 — CID 22335908

IUPAClithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide
SMILESFC(F)(O[Al-](OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)(OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)C(F)(F)C(F)(F)c1ccccc1.[Li+]
InChIInChI=1S/4C9H5F6O.Al.Li/c4*10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16;;/h4*1-5H;;/q4*-1;+3;+1
InChIKeyRCXIOQMVMKKKAS-UHFFFAOYSA-N
MW1006.43 g/mol
LogP10.57
Rot. Bonds20

About lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide

lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide (PubChem CID 22335908) has the molecular formula C36H20AlF24LiO4 and a molecular weight of 1006.43 g/mol. Its IUPAC name is lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide.

Molecular Properties

Compound Namelithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide
PubChem CID22335908
Molecular FormulaC36H20AlF24LiO4
Molecular Weight1006.43 g/mol
Exact Mass1006.10
IUPAC Namelithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide
SMILESFC(F)(O[Al-](OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)(OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)C(F)(F)C(F)(F)c1ccccc1.[Li+]
InChIInChI=1S/4C9H5F6O.Al.Li/c4*10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16;;/h4*1-5H;;/q4*-1;+3;+1
InChIKeyRCXIOQMVMKKKAS-UHFFFAOYSA-N
XLogP10.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.43
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide?
The IUPAC name of lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide (CID 22335908) is lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide.
What is the SMILES notation for lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide?
The canonical SMILES for lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide is FC(F)(O[Al-](OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)(OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)OC(F)(F)C(F)(F)C(F)(F)c1ccccc1)C(F)(F)C(F)(F)c1ccccc1.[Li+].
What is the InChIKey of lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide?
The InChIKey is RCXIOQMVMKKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H5F6O.Al.Li/c4*10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16;;/h4*1-5H;;/q4*-1;+3;+1.
What are the key properties of lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide?
lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide has a molecular weight of 1006.43 g/mol, XLogP of 10.57, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tetrakis(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)alumanuide is sourced from PubChem (CID 22335908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).