copper(1+);trifluoromethylbenzene

C7H4CuF3 — CID 15580181

IUPACcopper(1+);trifluoromethylbenzene
SMILESFC(F)(F)c1c[c-]ccc1.[Cu+]
InChIInChI=1S/C7H4F3.Cu/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q-1;+1
InChIKeyQCSQDECACZNOJP-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.50
Rot. Bonds

About copper(1+);trifluoromethylbenzene

copper(1+);trifluoromethylbenzene (PubChem CID 15580181) has the molecular formula C7H4CuF3 and a molecular weight of 208.65 g/mol. Its IUPAC name is copper(1+);trifluoromethylbenzene.

Molecular Properties

Compound Namecopper(1+);trifluoromethylbenzene
PubChem CID15580181
Molecular FormulaC7H4CuF3
Molecular Weight208.65 g/mol
Exact Mass207.96
IUPAC Namecopper(1+);trifluoromethylbenzene
SMILESFC(F)(F)c1c[c-]ccc1.[Cu+]
InChIInChI=1S/C7H4F3.Cu/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q-1;+1
InChIKeyQCSQDECACZNOJP-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 ≤ 500208.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);trifluoromethylbenzene?
The IUPAC name of copper(1+);trifluoromethylbenzene (CID 15580181) is copper(1+);trifluoromethylbenzene.
What is the SMILES notation for copper(1+);trifluoromethylbenzene?
The canonical SMILES for copper(1+);trifluoromethylbenzene is FC(F)(F)c1c[c-]ccc1.[Cu+].
What is the InChIKey of copper(1+);trifluoromethylbenzene?
The InChIKey is QCSQDECACZNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.Cu/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q-1;+1.
What are the key properties of copper(1+);trifluoromethylbenzene?
copper(1+);trifluoromethylbenzene has a molecular weight of 208.65 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 copper(1+);trifluoromethylbenzene is sourced from PubChem (CID 15580181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).