zinc;bis(2,2,2-trifluoroacetate);hydrate

C4H2F6O5Zn — CID 57375648

IUPACzinc;bis(2,2,2-trifluoroacetate);hydrate
SMILESO.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Zn+2]
InChIInChI=1S/2C2HF3O2.H2O.Zn/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);1H2;/q;;;+2/p-2
InChIKeyVUNLDTPRUICHRY-UHFFFAOYSA-L
MW309.43 g/mol
LogP-2.23
Rot. Bonds

About zinc;bis(2,2,2-trifluoroacetate);hydrate

zinc;bis(2,2,2-trifluoroacetate);hydrate (PubChem CID 57375648) has the molecular formula C4H2F6O5Zn and a molecular weight of 309.43 g/mol. Its IUPAC name is zinc;bis(2,2,2-trifluoroacetate);hydrate.

Molecular Properties

Compound Namezinc;bis(2,2,2-trifluoroacetate);hydrate
PubChem CID57375648
Molecular FormulaC4H2F6O5Zn
Molecular Weight309.43 g/mol
Exact Mass307.91
IUPAC Namezinc;bis(2,2,2-trifluoroacetate);hydrate
SMILESO.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Zn+2]
InChIInChI=1S/2C2HF3O2.H2O.Zn/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);1H2;/q;;;+2/p-2
InChIKeyVUNLDTPRUICHRY-UHFFFAOYSA-L
XLogP-2.23
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 5-2.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(2,2,2-trifluoroacetate);hydrate?
The IUPAC name of zinc;bis(2,2,2-trifluoroacetate);hydrate (CID 57375648) is zinc;bis(2,2,2-trifluoroacetate);hydrate.
What is the SMILES notation for zinc;bis(2,2,2-trifluoroacetate);hydrate?
The canonical SMILES for zinc;bis(2,2,2-trifluoroacetate);hydrate is O.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Zn+2].
What is the InChIKey of zinc;bis(2,2,2-trifluoroacetate);hydrate?
The InChIKey is VUNLDTPRUICHRY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2HF3O2.H2O.Zn/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);1H2;/q;;;+2/p-2.
What are the key properties of zinc;bis(2,2,2-trifluoroacetate);hydrate?
zinc;bis(2,2,2-trifluoroacetate);hydrate has a molecular weight of 309.43 g/mol, XLogP of -2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2,2,2-trifluoroacetate);hydrate is sourced from PubChem (CID 57375648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).