zinc;trifluoromethylbenzene;bromide

C7H4BrF3Zn — CID 171000038

IUPACzinc;trifluoromethylbenzene;bromide
SMILESFC(F)(F)c1cc[c-]cc1.[Br-].[Zn+2]
InChIInChI=1S/C7H4F3.BrH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyQTZYUXHHCTXHDM-UHFFFAOYSA-M
MW290.40 g/mol
LogP-0.49
Rot. Bonds

About zinc;trifluoromethylbenzene;bromide

zinc;trifluoromethylbenzene;bromide (PubChem CID 171000038) has the molecular formula C7H4BrF3Zn and a molecular weight of 290.40 g/mol. Its IUPAC name is zinc;trifluoromethylbenzene;bromide.

Molecular Properties

Compound Namezinc;trifluoromethylbenzene;bromide
PubChem CID171000038
Molecular FormulaC7H4BrF3Zn
Molecular Weight290.40 g/mol
Exact Mass287.87
IUPAC Namezinc;trifluoromethylbenzene;bromide
SMILESFC(F)(F)c1cc[c-]cc1.[Br-].[Zn+2]
InChIInChI=1S/C7H4F3.BrH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyQTZYUXHHCTXHDM-UHFFFAOYSA-M
XLogP-0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-0.49
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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Related Compounds

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CID 162562480
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1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
chloromethane;1-chloro-4-(trifluoromethyl)benzene
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trifluoromethylbenzene;zinc;hydrochloride
CID 87245768
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CID 158841642
CID 154390518
CID 154390518
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
sodium 1-chloro-3-(trifluoromethyl)benzene-6-ide
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Frequently Asked Questions

What is the IUPAC name of zinc;trifluoromethylbenzene;bromide?
The IUPAC name of zinc;trifluoromethylbenzene;bromide (CID 171000038) is zinc;trifluoromethylbenzene;bromide.
What is the SMILES notation for zinc;trifluoromethylbenzene;bromide?
The canonical SMILES for zinc;trifluoromethylbenzene;bromide is FC(F)(F)c1cc[c-]cc1.[Br-].[Zn+2].
What is the InChIKey of zinc;trifluoromethylbenzene;bromide?
The InChIKey is QTZYUXHHCTXHDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3.BrH.Zn/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of zinc;trifluoromethylbenzene;bromide?
zinc;trifluoromethylbenzene;bromide has a molecular weight of 290.40 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;trifluoromethylbenzene;bromide is sourced from PubChem (CID 171000038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).