tert-butylaluminum(2+) difluoride

C4H9AlF2 — CID 87203786

IUPACtert-butylaluminum(2+) difluoride
SMILESCC(C)(C)[Al+2].[F-].[F-]
InChIInChI=1S/C4H9.Al.2FH/c1-4(2)3;;;/h1-3H3;;2*1H/q;+2;;/p-2
InChIKeySZVYAYSZFSWUTK-UHFFFAOYSA-L
MW122.09 g/mol
LogP-4.62
Rot. Bonds

About tert-butylaluminum(2+) difluoride

tert-butylaluminum(2+) difluoride (PubChem CID 87203786) has the molecular formula C4H9AlF2 and a molecular weight of 122.09 g/mol. Its IUPAC name is tert-butylaluminum(2+) difluoride.

Molecular Properties

Compound Nametert-butylaluminum(2+) difluoride
PubChem CID87203786
Molecular FormulaC4H9AlF2
Molecular Weight122.09 g/mol
Exact Mass122.05
IUPAC Nametert-butylaluminum(2+) difluoride
SMILESCC(C)(C)[Al+2].[F-].[F-]
InChIInChI=1S/C4H9.Al.2FH/c1-4(2)3;;;/h1-3H3;;2*1H/q;+2;;/p-2
InChIKeySZVYAYSZFSWUTK-UHFFFAOYSA-L
XLogP-4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-4.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-butyl(dimethyl)silane
CID 5072427
tritert-butylalumane
CID 16683952
tritert-butylphosphanium;trifluoroborane;fluoride
CID 91654223
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
tert-butyloxidanium
CID 59258481
ditert-butyl(methyl)stibane
CID 19016969
2-methylpropan-2-amine;trifluoroborane
CID 175302179
2-[amino(methyl)silyl]-2-methylpropane
CID 150603996
lithium;tritert-butylalumane;hydroxide
CID 175406578
bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride
CID 87163662
1,1,1-trifluoroethane
CID 9868

Frequently Asked Questions

What is the IUPAC name of tert-butylaluminum(2+) difluoride?
The IUPAC name of tert-butylaluminum(2+) difluoride (CID 87203786) is tert-butylaluminum(2+) difluoride.
What is the SMILES notation for tert-butylaluminum(2+) difluoride?
The canonical SMILES for tert-butylaluminum(2+) difluoride is CC(C)(C)[Al+2].[F-].[F-].
What is the InChIKey of tert-butylaluminum(2+) difluoride?
The InChIKey is SZVYAYSZFSWUTK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9.Al.2FH/c1-4(2)3;;;/h1-3H3;;2*1H/q;+2;;/p-2.
What are the key properties of tert-butylaluminum(2+) difluoride?
tert-butylaluminum(2+) difluoride has a molecular weight of 122.09 g/mol, XLogP of -4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylaluminum(2+) difluoride is sourced from PubChem (CID 87203786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).