lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate

C2Cl6LiNaO10 — CID 18619098

IUPAClithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate
SMILESO=C(OCl)C(Cl)(Cl)Cl.[Li+].[Na+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2Cl4O2.2ClHO4.Li.Na/c3-2(4,5)1(7)8-6;2*2-1(3,4)5;;/h;2*(H,2,3,4,5);;/q;;;2*+1/p-2
InChIKeyGWESTQYUMMZSGN-UHFFFAOYSA-L
MW426.66 g/mol
LogP-13.45
Rot. Bonds

About lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate

lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate (PubChem CID 18619098) has the molecular formula C2Cl6LiNaO10 and a molecular weight of 426.66 g/mol. Its IUPAC name is lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate.

Molecular Properties

Compound Namelithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate
PubChem CID18619098
Molecular FormulaC2Cl6LiNaO10
Molecular Weight426.66 g/mol
Exact Mass423.77
IUPAC Namelithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate
SMILESO=C(OCl)C(Cl)(Cl)Cl.[Li+].[Na+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2Cl4O2.2ClHO4.Li.Na/c3-2(4,5)1(7)8-6;2*2-1(3,4)5;;/h;2*(H,2,3,4,5);;/q;;;2*+1/p-2
InChIKeyGWESTQYUMMZSGN-UHFFFAOYSA-L
XLogP-13.45
TPSA210.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.66
LogP ≤ 5-13.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-trichloroacetyl)oxycarbonyl 2,2,2-trichloroacetate
CID 11068173
chloro 2-bromo-2,2-difluoroacetate
CID 156698093
formyl 2,2,2-trichloroacetate
CID 57087058
bis(2,2,2-trichloroacetyl) (Z)-but-2-enedioate
CID 88645434
dimethylsilyl 2,2,2-trichloroacetate
CID 15643441
3-chlorooxy-2,2-dimethyl-3-oxopropanoic acid
CID 87502943
[2,3,5,6-tetrachloro-4-(hydroxymethyl)phenyl]methyl 2,2,2-trichloroacetate
CID 87992837
strontium bis(2,2,2-trichloroacetate)
CID 161000929
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
silver 2,2,2-trichloroacetate
CID 22311595
disodium;chloro hydrogen carbonate;hydride
CID 174295401

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate?
The IUPAC name of lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate (CID 18619098) is lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate.
What is the SMILES notation for lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate?
The canonical SMILES for lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate is O=C(OCl)C(Cl)(Cl)Cl.[Li+].[Na+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate?
The InChIKey is GWESTQYUMMZSGN-UHFFFAOYSA-L. The full InChI is InChI=1S/C2Cl4O2.2ClHO4.Li.Na/c3-2(4,5)1(7)8-6;2*2-1(3,4)5;;/h;2*(H,2,3,4,5);;/q;;;2*+1/p-2.
What are the key properties of lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate?
lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate has a molecular weight of 426.66 g/mol, XLogP of -13.45, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;chloro 2,2,2-trichloroacetate;diperchlorate is sourced from PubChem (CID 18619098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).