magnesium bis(2,2,2-trifluoroacetate)

C4F6MgO4 — CID 11139550

IUPACmagnesium bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mg+2]
InChIInChI=1S/2C2HF3O2.Mg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKeyWNBKPRWWMIPBSH-UHFFFAOYSA-L
MW250.33 g/mol
LogP-1.78
Rot. Bonds

About magnesium bis(2,2,2-trifluoroacetate)

magnesium bis(2,2,2-trifluoroacetate) (PubChem CID 11139550) has the molecular formula C4F6MgO4 and a molecular weight of 250.33 g/mol. Its IUPAC name is magnesium bis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Namemagnesium bis(2,2,2-trifluoroacetate)
PubChem CID11139550
Molecular FormulaC4F6MgO4
Molecular Weight250.33 g/mol
Exact Mass249.96
IUPAC Namemagnesium bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mg+2]
InChIInChI=1S/2C2HF3O2.Mg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKeyWNBKPRWWMIPBSH-UHFFFAOYSA-L
XLogP-1.78
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze magnesium bis(2,2,2-trifluoroacetate) with MolForge

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

Launch Full Analysis

Related Compounds

samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
2,2,2-trifluoroacetate acetate
CID 19379527
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
potassium;phosphoric acid;2,2,2-trifluoroacetate
CID 175199303
carbamoylazanium;2,2,2-trifluoroacetate
CID 139614468

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2,2,2-trifluoroacetate)?
The IUPAC name of magnesium bis(2,2,2-trifluoroacetate) (CID 11139550) is magnesium bis(2,2,2-trifluoroacetate).
What is the SMILES notation for magnesium bis(2,2,2-trifluoroacetate)?
The canonical SMILES for magnesium bis(2,2,2-trifluoroacetate) is O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mg+2].
What is the InChIKey of magnesium bis(2,2,2-trifluoroacetate)?
The InChIKey is WNBKPRWWMIPBSH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2HF3O2.Mg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2.
What are the key properties of magnesium bis(2,2,2-trifluoroacetate)?
magnesium bis(2,2,2-trifluoroacetate) has a molecular weight of 250.33 g/mol, XLogP of -1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 11139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).