tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide

C36H20AlF24O4- — CID 16687944

IUPACtetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide
SMILESFC(F)(F)C(O[Al-](OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(c1ccccc1)C(F)(F)F
InChIInChI=1S/4C9H5F6O.Al/c4*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;/h4*1-5H;/q4*-1;+3
InChIKeyBGDCESFVPHHAIX-UHFFFAOYSA-N
MW999.49 g/mol
LogP13.57
Rot. Bonds12

About tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide

tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide (PubChem CID 16687944) has the molecular formula C36H20AlF24O4- and a molecular weight of 999.49 g/mol. Its IUPAC name is tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide.

Molecular Properties

Compound Nametetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide
PubChem CID16687944
Molecular FormulaC36H20AlF24O4-
Molecular Weight999.49 g/mol
Exact Mass999.08
IUPAC Nametetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide
SMILESFC(F)(F)C(O[Al-](OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(c1ccccc1)C(F)(F)F
InChIInChI=1S/4C9H5F6O.Al/c4*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;/h4*1-5H;/q4*-1;+3
InChIKeyBGDCESFVPHHAIX-UHFFFAOYSA-N
XLogP13.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.49
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide?
The IUPAC name of tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide (CID 16687944) is tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide.
What is the SMILES notation for tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide?
The canonical SMILES for tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide is FC(F)(F)C(O[Al-](OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)(c1ccccc1)C(F)(F)F.
What is the InChIKey of tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide?
The InChIKey is BGDCESFVPHHAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H5F6O.Al/c4*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;/h4*1-5H;/q4*-1;+3.
What are the key properties of tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide?
tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide has a molecular weight of 999.49 g/mol, XLogP of 13.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]alumanuide is sourced from PubChem (CID 16687944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).