zinc bis(trifluoromethylbenzene)

C14H8F6Zn — CID 86201850

IUPACzinc bis(trifluoromethylbenzene)
SMILESFC(F)(F)c1[c-]cccc1.FC(F)(F)c1[c-]cccc1.[Zn+2]
InChIInChI=1S/2C7H4F3.Zn/c2*8-7(9,10)6-4-2-1-3-5-6;/h2*1-4H;/q2*-1;+2
InChIKeyBUDAIZZMKSFPMN-UHFFFAOYSA-N
MW355.60 g/mol
LogP5.01
Rot. Bonds

About zinc bis(trifluoromethylbenzene)

zinc bis(trifluoromethylbenzene) (PubChem CID 86201850) has the molecular formula C14H8F6Zn and a molecular weight of 355.60 g/mol. Its IUPAC name is zinc bis(trifluoromethylbenzene).

Molecular Properties

Compound Namezinc bis(trifluoromethylbenzene)
PubChem CID86201850
Molecular FormulaC14H8F6Zn
Molecular Weight355.60 g/mol
Exact Mass353.98
IUPAC Namezinc bis(trifluoromethylbenzene)
SMILESFC(F)(F)c1[c-]cccc1.FC(F)(F)c1[c-]cccc1.[Zn+2]
InChIInChI=1S/2C7H4F3.Zn/c2*8-7(9,10)6-4-2-1-3-5-6;/h2*1-4H;/q2*-1;+2
InChIKeyBUDAIZZMKSFPMN-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.01
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'}

Analyze zinc bis(trifluoromethylbenzene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ZINC bis(trifluoromethylbenzene)
CID 14342034
CID 134866650
CID 134866650
ZINC bis(trifluoromethylbenzene)
CID 12162989
Platinum(2+);bis(trifluoromethylbenzene)
CID 13499755
2-(2-Cyclohexa-1,5-dien-1-yl-1,1,2,2-tetrafluoroethyl)cyclohexa-1,3-diene
CID 17938008
1,2-Bis(trifluoromethyl)cyclohexa-1,3-diene
CID 17948205
2-(2,2,2-Trifluoroethyl)cyclohexa-1,3-diene
CID 20288997
Tetrafluoro-p-xylylene
CID 53706968
3-(Difluoromethylidene)-6-methylidenecyclohexa-1,4-diene
CID 58108402
Carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethyl)benzene-6-ide;tungsten(2+)
CID 59592221
Carbanide;2-fluoro-1,5-dimethyl-3-(trifluoromethyl)benzene-4-ide;tungsten(2+)
CID 59592295
Carbanide;1,5-dimethyl-2,3-bis(trifluoromethyl)benzene-4-ide;tungsten(2+)
CID 59592338

Frequently Asked Questions

What is the IUPAC name of zinc bis(trifluoromethylbenzene)?
The IUPAC name of zinc bis(trifluoromethylbenzene) (CID 86201850) is zinc bis(trifluoromethylbenzene).
What is the SMILES notation for zinc bis(trifluoromethylbenzene)?
The canonical SMILES for zinc bis(trifluoromethylbenzene) is FC(F)(F)c1[c-]cccc1.FC(F)(F)c1[c-]cccc1.[Zn+2].
What is the InChIKey of zinc bis(trifluoromethylbenzene)?
The InChIKey is BUDAIZZMKSFPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H4F3.Zn/c2*8-7(9,10)6-4-2-1-3-5-6;/h2*1-4H;/q2*-1;+2.
What are the key properties of zinc bis(trifluoromethylbenzene)?
zinc bis(trifluoromethylbenzene) has a molecular weight of 355.60 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(trifluoromethylbenzene) is sourced from PubChem (CID 86201850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).