strontium bis(2,2,2-trichloroacetate)

C4Cl6O4Sr — CID 161000929

IUPACstrontium bis(2,2,2-trichloroacetate)
SMILESO=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Sr+2]
InChIInChI=1S/2C2HCl3O2.Sr/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKeyTVWCXFFCLCXHDQ-UHFFFAOYSA-L
MW412.38 g/mol
LogP-0.17
Rot. Bonds

About strontium bis(2,2,2-trichloroacetate)

strontium bis(2,2,2-trichloroacetate) (PubChem CID 161000929) has the molecular formula C4Cl6O4Sr and a molecular weight of 412.38 g/mol. Its IUPAC name is strontium bis(2,2,2-trichloroacetate).

Molecular Properties

Compound Namestrontium bis(2,2,2-trichloroacetate)
PubChem CID161000929
Molecular FormulaC4Cl6O4Sr
Molecular Weight412.38 g/mol
Exact Mass409.70
IUPAC Namestrontium bis(2,2,2-trichloroacetate)
SMILESO=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Sr+2]
InChIInChI=1S/2C2HCl3O2.Sr/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKeyTVWCXFFCLCXHDQ-UHFFFAOYSA-L
XLogP-0.17
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 5-0.17
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

europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
silver 2,2,2-trichloroacetate
CID 22311595
gallium tris(2,2,2-trichloroacetate)
CID 22604629
2,2,2-trichloroacetate acetate
CID 22770169
magnesium bis(2-chloro-2,2-difluoroacetate)
CID 87738116
magnesium 2,2-dichloropropanoate
CID 22770171
2,2,2-trichloroacetate;trimethyl-(N'-methylcarbamimidoyl)azanium
CID 21455483
azane;2,2,2-trichloroacetyl chloride
CID 174960688
decanoate;nickel(2+);2,2,2-trichloroacetate
CID 22002704
strontium;palladium;carbonate
CID 87283579
strontium;europium(2+);dicarbonate
CID 173330022
strontium;methane;carbonate
CID 174760201

Frequently Asked Questions

What is the IUPAC name of strontium bis(2,2,2-trichloroacetate)?
The IUPAC name of strontium bis(2,2,2-trichloroacetate) (CID 161000929) is strontium bis(2,2,2-trichloroacetate).
What is the SMILES notation for strontium bis(2,2,2-trichloroacetate)?
The canonical SMILES for strontium bis(2,2,2-trichloroacetate) is O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Sr+2].
What is the InChIKey of strontium bis(2,2,2-trichloroacetate)?
The InChIKey is TVWCXFFCLCXHDQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2HCl3O2.Sr/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2.
What are the key properties of strontium bis(2,2,2-trichloroacetate)?
strontium bis(2,2,2-trichloroacetate) has a molecular weight of 412.38 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(2,2,2-trichloroacetate) is sourced from PubChem (CID 161000929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).