copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)

C12H16CuF2O8 — CID 173046387

IUPACcopper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C([O-])CF.O=C([O-])CF.[Cu+2]
InChIInChI=1S/2C4H6O2.2C2H3FO2.Cu/c2*1-3(2)4(5)6;2*3-1-2(4)5;/h2*1H2,2H3,(H,5,6);2*1H2,(H,4,5);/q;;;;+2/p-2
InChIKeyTYQDZVPTZBSYGH-UHFFFAOYSA-L
MW389.79 g/mol
LogP-1.30
Rot. Bonds4

About copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)

copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid) (PubChem CID 173046387) has the molecular formula C12H16CuF2O8 and a molecular weight of 389.79 g/mol. Its IUPAC name is copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namecopper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)
PubChem CID173046387
Molecular FormulaC12H16CuF2O8
Molecular Weight389.79 g/mol
Exact Mass389.01
IUPAC Namecopper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C([O-])CF.O=C([O-])CF.[Cu+2]
InChIInChI=1S/2C4H6O2.2C2H3FO2.Cu/c2*1-3(2)4(5)6;2*3-1-2(4)5;/h2*1H2,2H3,(H,5,6);2*1H2,(H,4,5);/q;;;;+2/p-2
InChIKeyTYQDZVPTZBSYGH-UHFFFAOYSA-L
XLogP-1.30
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
tris(2-fluoroacetate);yttrium(3+)
CID 158835957
europium(2+);bis(2-fluoroacetate)
CID 87746724
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
cesium 2-fluoroacetate
CID 141149492
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)?
The IUPAC name of copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid) (CID 173046387) is copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid).
What is the SMILES notation for copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)?
The canonical SMILES for copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.O=C([O-])CF.O=C([O-])CF.[Cu+2].
What is the InChIKey of copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)?
The InChIKey is TYQDZVPTZBSYGH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O2.2C2H3FO2.Cu/c2*1-3(2)4(5)6;2*3-1-2(4)5;/h2*1H2,2H3,(H,5,6);2*1H2,(H,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)?
copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid) has a molecular weight of 389.79 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 173046387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).