1,2,3-trifluorobenzene-6-ide;zinc

C6H2F3Zn- — CID 141412419

IUPAC1,2,3-trifluorobenzene-6-ide;zinc
SMILESFc1[c-]ccc(F)c1F.[Zn]
InChIInChI=1S/C6H2F3.Zn/c7-4-2-1-3-5(8)6(4)9;/h1-2H;/q-1;
InChIKeyOXCHVTAAGDFSEM-UHFFFAOYSA-N
MW196.47 g/mol
LogP1.90
Rot. Bonds

About 1,2,3-trifluorobenzene-6-ide;zinc

1,2,3-trifluorobenzene-6-ide;zinc (PubChem CID 141412419) has the molecular formula C6H2F3Zn- and a molecular weight of 196.47 g/mol. Its IUPAC name is 1,2,3-trifluorobenzene-6-ide;zinc.

Molecular Properties

Compound Name1,2,3-trifluorobenzene-6-ide;zinc
PubChem CID141412419
Molecular FormulaC6H2F3Zn-
Molecular Weight196.47 g/mol
Exact Mass194.94
IUPAC Name1,2,3-trifluorobenzene-6-ide;zinc
SMILESFc1[c-]ccc(F)c1F.[Zn]
InChIInChI=1S/C6H2F3.Zn/c7-4-2-1-3-5(8)6(4)9;/h1-2H;/q-1;
InChIKeyOXCHVTAAGDFSEM-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.47
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluorobenzene-6-ide;zinc?
The IUPAC name of 1,2,3-trifluorobenzene-6-ide;zinc (CID 141412419) is 1,2,3-trifluorobenzene-6-ide;zinc.
What is the SMILES notation for 1,2,3-trifluorobenzene-6-ide;zinc?
The canonical SMILES for 1,2,3-trifluorobenzene-6-ide;zinc is Fc1[c-]ccc(F)c1F.[Zn].
What is the InChIKey of 1,2,3-trifluorobenzene-6-ide;zinc?
The InChIKey is OXCHVTAAGDFSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3.Zn/c7-4-2-1-3-5(8)6(4)9;/h1-2H;/q-1;.
What are the key properties of 1,2,3-trifluorobenzene-6-ide;zinc?
1,2,3-trifluorobenzene-6-ide;zinc has a molecular weight of 196.47 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluorobenzene-6-ide;zinc is sourced from PubChem (CID 141412419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).