lithium;iodozinc(1+);trifluoromethylbenzene;chloride

C7H4ClF3ILiZn — CID 135076249

IUPAClithium;iodozinc(1+);trifluoromethylbenzene;chloride
SMILESFC(F)(F)c1c[c-]ccc1.[Cl-].[Li+].[Zn+]I
InChIInChI=1S/C7H4F3.ClH.HI.Li.Zn/c8-7(9,10)6-4-2-1-3-5-6;;;;/h1-2,4-5H;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyVPGVKJPUWFSGDL-UHFFFAOYSA-L
MW379.79 g/mol
LogP-2.60
Rot. Bonds

About lithium;iodozinc(1+);trifluoromethylbenzene;chloride

lithium;iodozinc(1+);trifluoromethylbenzene;chloride (PubChem CID 135076249) has the molecular formula C7H4ClF3ILiZn and a molecular weight of 379.79 g/mol. Its IUPAC name is lithium;iodozinc(1+);trifluoromethylbenzene;chloride.

Molecular Properties

Compound Namelithium;iodozinc(1+);trifluoromethylbenzene;chloride
PubChem CID135076249
Molecular FormulaC7H4ClF3ILiZn
Molecular Weight379.79 g/mol
Exact Mass377.84
IUPAC Namelithium;iodozinc(1+);trifluoromethylbenzene;chloride
SMILESFC(F)(F)c1c[c-]ccc1.[Cl-].[Li+].[Zn+]I
InChIInChI=1S/C7H4F3.ClH.HI.Li.Zn/c8-7(9,10)6-4-2-1-3-5-6;;;;/h1-2,4-5H;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyVPGVKJPUWFSGDL-UHFFFAOYSA-L
XLogP-2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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[2-bis[3-(trifluoromethyl)phenoxy]boranyloxy-6-(trifluoromethyl)phenyl]-triethylazanium;trifluoromethylbenzene
CID 139712512
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CID 171000038
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Frequently Asked Questions

What is the IUPAC name of lithium;iodozinc(1+);trifluoromethylbenzene;chloride?
The IUPAC name of lithium;iodozinc(1+);trifluoromethylbenzene;chloride (CID 135076249) is lithium;iodozinc(1+);trifluoromethylbenzene;chloride.
What is the SMILES notation for lithium;iodozinc(1+);trifluoromethylbenzene;chloride?
The canonical SMILES for lithium;iodozinc(1+);trifluoromethylbenzene;chloride is FC(F)(F)c1c[c-]ccc1.[Cl-].[Li+].[Zn+]I.
What is the InChIKey of lithium;iodozinc(1+);trifluoromethylbenzene;chloride?
The InChIKey is VPGVKJPUWFSGDL-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H4F3.ClH.HI.Li.Zn/c8-7(9,10)6-4-2-1-3-5-6;;;;/h1-2,4-5H;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of lithium;iodozinc(1+);trifluoromethylbenzene;chloride?
lithium;iodozinc(1+);trifluoromethylbenzene;chloride has a molecular weight of 379.79 g/mol, XLogP of -2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;iodozinc(1+);trifluoromethylbenzene;chloride is sourced from PubChem (CID 135076249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).