trifluoromethylbenzene;zinc

C7H4F3Zn- — CID 134866650

IUPACtrifluoromethylbenzene;zinc
SMILESFC(F)(F)c1c[c-]ccc1.[Zn]
InChIInChI=1S/C7H4F3.Zn/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q-1;
InChIKeyIBGIHCPWRHGLJL-UHFFFAOYSA-N
MW210.49 g/mol
LogP2.50
Rot. Bonds

About trifluoromethylbenzene;zinc

trifluoromethylbenzene;zinc (PubChem CID 134866650) has the molecular formula C7H4F3Zn- and a molecular weight of 210.49 g/mol. Its IUPAC name is trifluoromethylbenzene;zinc.

Molecular Properties

Compound Nametrifluoromethylbenzene;zinc
PubChem CID134866650
Molecular FormulaC7H4F3Zn-
Molecular Weight210.49 g/mol
Exact Mass208.96
IUPAC Nametrifluoromethylbenzene;zinc
SMILESFC(F)(F)c1c[c-]ccc1.[Zn]
InChIInChI=1S/C7H4F3.Zn/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q-1;
InChIKeyIBGIHCPWRHGLJL-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.49
LogP ≤ 52.50
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?
The IUPAC name of trifluoromethylbenzene;zinc (CID 134866650) is trifluoromethylbenzene;zinc.
What is the SMILES notation for trifluoromethylbenzene;zinc?
The canonical SMILES for trifluoromethylbenzene;zinc is FC(F)(F)c1c[c-]ccc1.[Zn].
What is the InChIKey of trifluoromethylbenzene;zinc?
The InChIKey is IBGIHCPWRHGLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.Zn/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q-1;.
What are the key properties of trifluoromethylbenzene;zinc?
trifluoromethylbenzene;zinc has a molecular weight of 210.49 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylbenzene;zinc is sourced from PubChem (CID 134866650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).