trifluoromethylbenzene;zinc;hydrochloride

C7H5ClF3Zn- — CID 87245768

IUPACtrifluoromethylbenzene;zinc;hydrochloride
SMILESCl.FC(F)(F)c1c[c-]ccc1.[Zn]
InChIInChI=1S/C7H4F3.ClH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;
InChIKeyMDTTZRCPQMRALP-UHFFFAOYSA-N
MW246.95 g/mol
LogP2.92
Rot. Bonds

About trifluoromethylbenzene;zinc;hydrochloride

trifluoromethylbenzene;zinc;hydrochloride (PubChem CID 87245768) has the molecular formula C7H5ClF3Zn- and a molecular weight of 246.95 g/mol. Its IUPAC name is trifluoromethylbenzene;zinc;hydrochloride.

Molecular Properties

Compound Nametrifluoromethylbenzene;zinc;hydrochloride
PubChem CID87245768
Molecular FormulaC7H5ClF3Zn-
Molecular Weight246.95 g/mol
Exact Mass244.93
IUPAC Nametrifluoromethylbenzene;zinc;hydrochloride
SMILESCl.FC(F)(F)c1c[c-]ccc1.[Zn]
InChIInChI=1S/C7H4F3.ClH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;
InChIKeyMDTTZRCPQMRALP-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.95
LogP ≤ 52.92
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 trifluoromethylbenzene;zinc;hydrochloride?
The IUPAC name of trifluoromethylbenzene;zinc;hydrochloride (CID 87245768) is trifluoromethylbenzene;zinc;hydrochloride.
What is the SMILES notation for trifluoromethylbenzene;zinc;hydrochloride?
The canonical SMILES for trifluoromethylbenzene;zinc;hydrochloride is Cl.FC(F)(F)c1c[c-]ccc1.[Zn].
What is the InChIKey of trifluoromethylbenzene;zinc;hydrochloride?
The InChIKey is MDTTZRCPQMRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.ClH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;.
What are the key properties of trifluoromethylbenzene;zinc;hydrochloride?
trifluoromethylbenzene;zinc;hydrochloride has a molecular weight of 246.95 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylbenzene;zinc;hydrochloride is sourced from PubChem (CID 87245768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).