2-chloro-2,2-difluoroacetic acid;copper

C2HClCuF2O2 — CID 169246570

IUPAC2-chloro-2,2-difluoroacetic acid;copper
SMILESO=C(O)C(F)(F)Cl.[Cu]
InChIInChI=1S/C2HClF2O2.Cu/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyKOMSORCXYBSCNP-UHFFFAOYSA-N
MW194.02 g/mol
LogP0.90
Rot. Bonds1

About 2-chloro-2,2-difluoroacetic acid;copper

2-chloro-2,2-difluoroacetic acid;copper (PubChem CID 169246570) has the molecular formula C2HClCuF2O2 and a molecular weight of 194.02 g/mol. Its IUPAC name is 2-chloro-2,2-difluoroacetic acid;copper.

Molecular Properties

Compound Name2-chloro-2,2-difluoroacetic acid;copper
PubChem CID169246570
Molecular FormulaC2HClCuF2O2
Molecular Weight194.02 g/mol
Exact Mass192.89
IUPAC Name2-chloro-2,2-difluoroacetic acid;copper
SMILESO=C(O)C(F)(F)Cl.[Cu]
InChIInChI=1S/C2HClF2O2.Cu/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyKOMSORCXYBSCNP-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoroacetic acid;copper?
The IUPAC name of 2-chloro-2,2-difluoroacetic acid;copper (CID 169246570) is 2-chloro-2,2-difluoroacetic acid;copper.
What is the SMILES notation for 2-chloro-2,2-difluoroacetic acid;copper?
The canonical SMILES for 2-chloro-2,2-difluoroacetic acid;copper is O=C(O)C(F)(F)Cl.[Cu].
What is the InChIKey of 2-chloro-2,2-difluoroacetic acid;copper?
The InChIKey is KOMSORCXYBSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.Cu/c3-2(4,5)1(6)7;/h(H,6,7);.
What are the key properties of 2-chloro-2,2-difluoroacetic acid;copper?
2-chloro-2,2-difluoroacetic acid;copper has a molecular weight of 194.02 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoroacetic acid;copper is sourced from PubChem (CID 169246570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).