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

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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).