chlorozinc(1+);trifluoromethylbenzene

C7H4ClF3Zn — CID 14435811

IUPACchlorozinc(1+);trifluoromethylbenzene
SMILESCl[Zn+].FC(F)(F)c1cc[c-]cc1
InChIInChI=1S/C7H4F3.ClH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyGZZFEKLWNFOODA-UHFFFAOYSA-M
MW245.95 g/mol
LogP3.19
Rot. Bonds

About chlorozinc(1+);trifluoromethylbenzene

chlorozinc(1+);trifluoromethylbenzene (PubChem CID 14435811) has the molecular formula C7H4ClF3Zn and a molecular weight of 245.95 g/mol. Its IUPAC name is chlorozinc(1+);trifluoromethylbenzene.

Molecular Properties

Compound Namechlorozinc(1+);trifluoromethylbenzene
PubChem CID14435811
Molecular FormulaC7H4ClF3Zn
Molecular Weight245.95 g/mol
Exact Mass243.92
IUPAC Namechlorozinc(1+);trifluoromethylbenzene
SMILESCl[Zn+].FC(F)(F)c1cc[c-]cc1
InChIInChI=1S/C7H4F3.ClH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyGZZFEKLWNFOODA-UHFFFAOYSA-M
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.95
LogP ≤ 53.19
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'}

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);trifluoromethylbenzene?
The IUPAC name of chlorozinc(1+);trifluoromethylbenzene (CID 14435811) is chlorozinc(1+);trifluoromethylbenzene.
What is the SMILES notation for chlorozinc(1+);trifluoromethylbenzene?
The canonical SMILES for chlorozinc(1+);trifluoromethylbenzene is Cl[Zn+].FC(F)(F)c1cc[c-]cc1.
What is the InChIKey of chlorozinc(1+);trifluoromethylbenzene?
The InChIKey is GZZFEKLWNFOODA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3.ClH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);trifluoromethylbenzene?
chlorozinc(1+);trifluoromethylbenzene has a molecular weight of 245.95 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);trifluoromethylbenzene is sourced from PubChem (CID 14435811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).