copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride

C26H11ClCuF10O4 — CID 173026508

IUPACcopper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
SMILESCl.O=C(O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.O=C(O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.[Cu]
InChIInChI=1S/2C13H5F5O2.ClH.Cu/c2*14-8-7(9(15)11(17)12(18)10(8)16)5-3-1-2-4-6(5)13(19)20;;/h2*1-4H,(H,19,20);1H;
InChIKeyUEWAKDBLXNSNKP-UHFFFAOYSA-N
MW676.35 g/mol
LogP7.91
Rot. Bonds4

About copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride

copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride (PubChem CID 173026508) has the molecular formula C26H11ClCuF10O4 and a molecular weight of 676.35 g/mol. Its IUPAC name is copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride.

Molecular Properties

Compound Namecopper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
PubChem CID173026508
Molecular FormulaC26H11ClCuF10O4
Molecular Weight676.35 g/mol
Exact Mass674.95
IUPAC Namecopper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
SMILESCl.O=C(O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.O=C(O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.[Cu]
InChIInChI=1S/2C13H5F5O2.ClH.Cu/c2*14-8-7(9(15)11(17)12(18)10(8)16)5-3-1-2-4-6(5)13(19)20;;/h2*1-4H,(H,19,20);1H;
InChIKeyUEWAKDBLXNSNKP-UHFFFAOYSA-N
XLogP7.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.35
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 87415927
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
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2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 134617305
azane;phthalic acid;hydrochloride
CID 175440203
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
2-(2-carboxyphenyl)-3,4-dimethylbenzoic acid
CID 18692681

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride?
The IUPAC name of copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride (CID 173026508) is copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride.
What is the SMILES notation for copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride?
The canonical SMILES for copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride is Cl.O=C(O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.O=C(O)c1ccccc1-c1c(F)c(F)c(F)c(F)c1F.[Cu].
What is the InChIKey of copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride?
The InChIKey is UEWAKDBLXNSNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H5F5O2.ClH.Cu/c2*14-8-7(9(15)11(17)12(18)10(8)16)5-3-1-2-4-6(5)13(19)20;;/h2*1-4H,(H,19,20);1H;.
What are the key properties of copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride?
copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride has a molecular weight of 676.35 g/mol, XLogP of 7.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride is sourced from PubChem (CID 173026508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).