zinc 2,2,2-trifluoroacetate

C2F3O2Zn+ — CID 22604677

IUPACzinc 2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[Zn+2]
InChIInChI=1S/C2HF3O2.Zn/c3-2(4,5)1(6)7;/h(H,6,7);/q;+2/p-1
InChIKeyGYODMQKJXNERNZ-UHFFFAOYSA-M
MW178.40 g/mol
LogP-0.70
Rot. Bonds

About zinc 2,2,2-trifluoroacetate

zinc 2,2,2-trifluoroacetate (PubChem CID 22604677) has the molecular formula C2F3O2Zn+ and a molecular weight of 178.40 g/mol. Its IUPAC name is zinc 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namezinc 2,2,2-trifluoroacetate
PubChem CID22604677
Molecular FormulaC2F3O2Zn+
Molecular Weight178.40 g/mol
Exact Mass176.91
IUPAC Namezinc 2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[Zn+2]
InChIInChI=1S/C2HF3O2.Zn/c3-2(4,5)1(6)7;/h(H,6,7);/q;+2/p-1
InChIKeyGYODMQKJXNERNZ-UHFFFAOYSA-M
XLogP-0.70
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
sodium 2,2,2-trifluoroacetate
CID 517019
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
2,2,2-trifluoroacetate acetate
CID 19379527
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
potassium;phosphoric acid;2,2,2-trifluoroacetate
CID 175199303
carbamoylazanium;2,2,2-trifluoroacetate
CID 139614468

Frequently Asked Questions

What is the IUPAC name of zinc 2,2,2-trifluoroacetate?
The IUPAC name of zinc 2,2,2-trifluoroacetate (CID 22604677) is zinc 2,2,2-trifluoroacetate.
What is the SMILES notation for zinc 2,2,2-trifluoroacetate?
The canonical SMILES for zinc 2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[Zn+2].
What is the InChIKey of zinc 2,2,2-trifluoroacetate?
The InChIKey is GYODMQKJXNERNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.Zn/c3-2(4,5)1(6)7;/h(H,6,7);/q;+2/p-1.
What are the key properties of zinc 2,2,2-trifluoroacetate?
zinc 2,2,2-trifluoroacetate has a molecular weight of 178.40 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2,2,2-trifluoroacetate is sourced from PubChem (CID 22604677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).