diethylalumanylium;titanium(4+);tetrachloride;fluoride

C4H10AlCl4FTi — CID 159607865

IUPACdiethylalumanylium;titanium(4+);tetrachloride;fluoride
SMILESCC[Al+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[F-].[Ti+4]
InChIInChI=1S/2C2H5.Al.4ClH.FH.Ti/c2*1-2;;;;;;;/h2*1H2,2H3;;5*1H;/q;;+1;;;;;;+4/p-5
InChIKeyMMHRJUBDHIRNMO-UHFFFAOYSA-I
MW293.78 g/mol
LogP-13.42
Rot. Bonds2

About diethylalumanylium;titanium(4+);tetrachloride;fluoride

diethylalumanylium;titanium(4+);tetrachloride;fluoride (PubChem CID 159607865) has the molecular formula C4H10AlCl4FTi and a molecular weight of 293.78 g/mol. Its IUPAC name is diethylalumanylium;titanium(4+);tetrachloride;fluoride.

Molecular Properties

Compound Namediethylalumanylium;titanium(4+);tetrachloride;fluoride
PubChem CID159607865
Molecular FormulaC4H10AlCl4FTi
Molecular Weight293.78 g/mol
Exact Mass291.88
IUPAC Namediethylalumanylium;titanium(4+);tetrachloride;fluoride
SMILESCC[Al+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[F-].[Ti+4]
InChIInChI=1S/2C2H5.Al.4ClH.FH.Ti/c2*1-2;;;;;;;/h2*1H2,2H3;;5*1H;/q;;+1;;;;;;+4/p-5
InChIKeyMMHRJUBDHIRNMO-UHFFFAOYSA-I
XLogP-13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 5-13.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of diethylalumanylium;titanium(4+);tetrachloride;fluoride?
The IUPAC name of diethylalumanylium;titanium(4+);tetrachloride;fluoride (CID 159607865) is diethylalumanylium;titanium(4+);tetrachloride;fluoride.
What is the SMILES notation for diethylalumanylium;titanium(4+);tetrachloride;fluoride?
The canonical SMILES for diethylalumanylium;titanium(4+);tetrachloride;fluoride is CC[Al+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[F-].[Ti+4].
What is the InChIKey of diethylalumanylium;titanium(4+);tetrachloride;fluoride?
The InChIKey is MMHRJUBDHIRNMO-UHFFFAOYSA-I. The full InChI is InChI=1S/2C2H5.Al.4ClH.FH.Ti/c2*1-2;;;;;;;/h2*1H2,2H3;;5*1H;/q;;+1;;;;;;+4/p-5.
What are the key properties of diethylalumanylium;titanium(4+);tetrachloride;fluoride?
diethylalumanylium;titanium(4+);tetrachloride;fluoride has a molecular weight of 293.78 g/mol, XLogP of -13.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumanylium;titanium(4+);tetrachloride;fluoride is sourced from PubChem (CID 159607865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).