copper(1+);2,2,2-trifluoroacetate;tetrahydrate

C2H8CuF3O6 — CID 175128505

IUPACcopper(1+);2,2,2-trifluoroacetate;tetrahydrate
SMILESO.O.O.O.O=C([O-])C(F)(F)F.[Cu+]
InChIInChI=1S/C2HF3O2.Cu.4H2O/c3-2(4,5)1(6)7;;;;;/h(H,6,7);;4*1H2/q;+1;;;;/p-1
InChIKeyZYYTZYSCTXYHDO-UHFFFAOYSA-M
MW248.62 g/mol
LogP-4.00
Rot. Bonds

About copper(1+);2,2,2-trifluoroacetate;tetrahydrate

copper(1+);2,2,2-trifluoroacetate;tetrahydrate (PubChem CID 175128505) has the molecular formula C2H8CuF3O6 and a molecular weight of 248.62 g/mol. Its IUPAC name is copper(1+);2,2,2-trifluoroacetate;tetrahydrate.

Molecular Properties

Compound Namecopper(1+);2,2,2-trifluoroacetate;tetrahydrate
PubChem CID175128505
Molecular FormulaC2H8CuF3O6
Molecular Weight248.62 g/mol
Exact Mass247.96
IUPAC Namecopper(1+);2,2,2-trifluoroacetate;tetrahydrate
SMILESO.O.O.O.O=C([O-])C(F)(F)F.[Cu+]
InChIInChI=1S/C2HF3O2.Cu.4H2O/c3-2(4,5)1(6)7;;;;;/h(H,6,7);;4*1H2/q;+1;;;;/p-1
InChIKeyZYYTZYSCTXYHDO-UHFFFAOYSA-M
XLogP-4.00
TPSA166.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper(1+);2,2,2-trifluoroacetate;tetrahydrate?
The IUPAC name of copper(1+);2,2,2-trifluoroacetate;tetrahydrate (CID 175128505) is copper(1+);2,2,2-trifluoroacetate;tetrahydrate.
What is the SMILES notation for copper(1+);2,2,2-trifluoroacetate;tetrahydrate?
The canonical SMILES for copper(1+);2,2,2-trifluoroacetate;tetrahydrate is O.O.O.O.O=C([O-])C(F)(F)F.[Cu+].
What is the InChIKey of copper(1+);2,2,2-trifluoroacetate;tetrahydrate?
The InChIKey is ZYYTZYSCTXYHDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.Cu.4H2O/c3-2(4,5)1(6)7;;;;;/h(H,6,7);;4*1H2/q;+1;;;;/p-1.
What are the key properties of copper(1+);2,2,2-trifluoroacetate;tetrahydrate?
copper(1+);2,2,2-trifluoroacetate;tetrahydrate has a molecular weight of 248.62 g/mol, XLogP of -4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2,2,2-trifluoroacetate;tetrahydrate is sourced from PubChem (CID 175128505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).