aluminum;trifluoride;trihydrate

H6AlF3O3 — CID 22002992

IUPACaluminum;trifluoride;trihydrate
SMILESO.O.O.[Al+3].[F-].[F-].[F-]
InChIInChI=1S/Al.3FH.3H2O/h;3*1H;3*1H2/q+3;;;;;;/p-3
InChIKeyBKLZIAYVINRQEJ-UHFFFAOYSA-K
MW138.02 g/mol
LogP-11.84
Rot. Bonds

About aluminum;trifluoride;trihydrate

aluminum;trifluoride;trihydrate (PubChem CID 22002992) has the molecular formula H6AlF3O3 and a molecular weight of 138.02 g/mol. Its IUPAC name is aluminum;trifluoride;trihydrate.

Molecular Properties

Compound Namealuminum;trifluoride;trihydrate
PubChem CID22002992
Molecular FormulaH6AlF3O3
Molecular Weight138.02 g/mol
Exact Mass138.01
IUPAC Namealuminum;trifluoride;trihydrate
SMILESO.O.O.[Al+3].[F-].[F-].[F-]
InChIInChI=1S/Al.3FH.3H2O/h;3*1H;3*1H2/q+3;;;;;;/p-3
InChIKeyBKLZIAYVINRQEJ-UHFFFAOYSA-K
XLogP-11.84
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.02
LogP ≤ 5-11.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze aluminum;trifluoride;trihydrate 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 aluminum;trifluoride;trihydrate?
The IUPAC name of aluminum;trifluoride;trihydrate (CID 22002992) is aluminum;trifluoride;trihydrate.
What is the SMILES notation for aluminum;trifluoride;trihydrate?
The canonical SMILES for aluminum;trifluoride;trihydrate is O.O.O.[Al+3].[F-].[F-].[F-].
What is the InChIKey of aluminum;trifluoride;trihydrate?
The InChIKey is BKLZIAYVINRQEJ-UHFFFAOYSA-K. The full InChI is InChI=1S/Al.3FH.3H2O/h;3*1H;3*1H2/q+3;;;;;;/p-3.
What are the key properties of aluminum;trifluoride;trihydrate?
aluminum;trifluoride;trihydrate has a molecular weight of 138.02 g/mol, XLogP of -11.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;trifluoride;trihydrate is sourced from PubChem (CID 22002992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).