chloro hypochlorite;copper;2-(trifluoromethyl)benzamide

C8H6Cl2CuF3NO2 — CID 159662780

IUPACchloro hypochlorite;copper;2-(trifluoromethyl)benzamide
SMILESClOCl.NC(=O)c1ccccc1C(F)(F)F.[Cu]
InChIInChI=1S/C8H6F3NO.Cl2O.Cu/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;1-3-2;/h1-4H,(H2,12,13);;
InChIKeyMTAGNHSKTKQZMV-UHFFFAOYSA-N
MW339.59 g/mol
LogP3.11
Rot. Bonds1

About chloro hypochlorite;copper;2-(trifluoromethyl)benzamide

chloro hypochlorite;copper;2-(trifluoromethyl)benzamide (PubChem CID 159662780) has the molecular formula C8H6Cl2CuF3NO2 and a molecular weight of 339.59 g/mol. Its IUPAC name is chloro hypochlorite;copper;2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Namechloro hypochlorite;copper;2-(trifluoromethyl)benzamide
PubChem CID159662780
Molecular FormulaC8H6Cl2CuF3NO2
Molecular Weight339.59 g/mol
Exact Mass337.90
IUPAC Namechloro hypochlorite;copper;2-(trifluoromethyl)benzamide
SMILESClOCl.NC(=O)c1ccccc1C(F)(F)F.[Cu]
InChIInChI=1S/C8H6F3NO.Cl2O.Cu/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;1-3-2;/h1-4H,(H2,12,13);;
InChIKeyMTAGNHSKTKQZMV-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69461429
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CID 142933924
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CID 162538888
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CID 70168801
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Frequently Asked Questions

What is the IUPAC name of chloro hypochlorite;copper;2-(trifluoromethyl)benzamide?
The IUPAC name of chloro hypochlorite;copper;2-(trifluoromethyl)benzamide (CID 159662780) is chloro hypochlorite;copper;2-(trifluoromethyl)benzamide.
What is the SMILES notation for chloro hypochlorite;copper;2-(trifluoromethyl)benzamide?
The canonical SMILES for chloro hypochlorite;copper;2-(trifluoromethyl)benzamide is ClOCl.NC(=O)c1ccccc1C(F)(F)F.[Cu].
What is the InChIKey of chloro hypochlorite;copper;2-(trifluoromethyl)benzamide?
The InChIKey is MTAGNHSKTKQZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.Cl2O.Cu/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;1-3-2;/h1-4H,(H2,12,13);;.
What are the key properties of chloro hypochlorite;copper;2-(trifluoromethyl)benzamide?
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide has a molecular weight of 339.59 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro hypochlorite;copper;2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159662780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).