gallium tris(2,2,2-trichloroacetate)

C6Cl9GaO6 — CID 22604629

IUPACgallium tris(2,2,2-trichloroacetate)
SMILESO=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Ga+3]
InChIInChI=1S/3C2HCl3O2.Ga/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
InChIKeyMYXNRJPATZFNJK-UHFFFAOYSA-K
MW556.86 g/mol
LogP-0.06
Rot. Bonds

About gallium tris(2,2,2-trichloroacetate)

gallium tris(2,2,2-trichloroacetate) (PubChem CID 22604629) has the molecular formula C6Cl9GaO6 and a molecular weight of 556.86 g/mol. Its IUPAC name is gallium tris(2,2,2-trichloroacetate).

Molecular Properties

Compound Namegallium tris(2,2,2-trichloroacetate)
PubChem CID22604629
Molecular FormulaC6Cl9GaO6
Molecular Weight556.86 g/mol
Exact Mass551.61
IUPAC Namegallium tris(2,2,2-trichloroacetate)
SMILESO=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Ga+3]
InChIInChI=1S/3C2HCl3O2.Ga/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
InChIKeyMYXNRJPATZFNJK-UHFFFAOYSA-K
XLogP-0.06
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.86
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

strontium bis(2,2,2-trichloroacetate)
CID 161000929
europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
silver 2,2,2-trichloroacetate
CID 22311595
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
2,2-dichloropropanoate;propan-2-ylazanium
CID 517027
2,2,2-trichloroacetamide
CID 71309866
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788

Frequently Asked Questions

What is the IUPAC name of gallium tris(2,2,2-trichloroacetate)?
The IUPAC name of gallium tris(2,2,2-trichloroacetate) (CID 22604629) is gallium tris(2,2,2-trichloroacetate).
What is the SMILES notation for gallium tris(2,2,2-trichloroacetate)?
The canonical SMILES for gallium tris(2,2,2-trichloroacetate) is O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Ga+3].
What is the InChIKey of gallium tris(2,2,2-trichloroacetate)?
The InChIKey is MYXNRJPATZFNJK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2HCl3O2.Ga/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3.
What are the key properties of gallium tris(2,2,2-trichloroacetate)?
gallium tris(2,2,2-trichloroacetate) has a molecular weight of 556.86 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gallium tris(2,2,2-trichloroacetate) is sourced from PubChem (CID 22604629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).