magnesium bis(2-chloro-2,2-difluoroacetate)

C4Cl2F4MgO4 — CID 87738116

IUPACmagnesium bis(2-chloro-2,2-difluoroacetate)
SMILESO=C([O-])C(F)(F)Cl.O=C([O-])C(F)(F)Cl.[Mg+2]
InChIInChI=1S/2C2HClF2O2.Mg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKeyVQJXAYDKZFFGBP-UHFFFAOYSA-L
MW283.24 g/mol
LogP-1.25
Rot. Bonds2

About magnesium bis(2-chloro-2,2-difluoroacetate)

magnesium bis(2-chloro-2,2-difluoroacetate) (PubChem CID 87738116) has the molecular formula C4Cl2F4MgO4 and a molecular weight of 283.24 g/mol. Its IUPAC name is magnesium bis(2-chloro-2,2-difluoroacetate).

Molecular Properties

Compound Namemagnesium bis(2-chloro-2,2-difluoroacetate)
PubChem CID87738116
Molecular FormulaC4Cl2F4MgO4
Molecular Weight283.24 g/mol
Exact Mass281.90
IUPAC Namemagnesium bis(2-chloro-2,2-difluoroacetate)
SMILESO=C([O-])C(F)(F)Cl.O=C([O-])C(F)(F)Cl.[Mg+2]
InChIInChI=1S/2C2HClF2O2.Mg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKeyVQJXAYDKZFFGBP-UHFFFAOYSA-L
XLogP-1.25
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
2-chloro-2,2-difluoroacetate;pyridin-1-ium
CID 18513128
magnesium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173148717
magnesium 2,2-dichloropropanoate
CID 22770171
strontium bis(2,2,2-trichloroacetate)
CID 161000929
zinc 2,2,2-trifluoroacetate
CID 22604677
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
sodium 2,2,2-trifluoroacetate
CID 517019
europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
silver 2,2,2-trichloroacetate
CID 22311595
gallium tris(2,2,2-trichloroacetate)
CID 22604629
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-chloro-2,2-difluoroacetate)?
The IUPAC name of magnesium bis(2-chloro-2,2-difluoroacetate) (CID 87738116) is magnesium bis(2-chloro-2,2-difluoroacetate).
What is the SMILES notation for magnesium bis(2-chloro-2,2-difluoroacetate)?
The canonical SMILES for magnesium bis(2-chloro-2,2-difluoroacetate) is O=C([O-])C(F)(F)Cl.O=C([O-])C(F)(F)Cl.[Mg+2].
What is the InChIKey of magnesium bis(2-chloro-2,2-difluoroacetate)?
The InChIKey is VQJXAYDKZFFGBP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2HClF2O2.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-chloro-2,2-difluoroacetate)?
magnesium bis(2-chloro-2,2-difluoroacetate) has a molecular weight of 283.24 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-chloro-2,2-difluoroacetate) is sourced from PubChem (CID 87738116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).