magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide

C7H3BrClF3Mg — CID 133144507

IUPACmagnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide
SMILESFC(F)(F)c1cc[c-]cc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C7H3ClF3.BrH.Mg/c8-6-4-2-1-3-5(6)7(9,10)11;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeySHFWNGGJYFUGFY-UHFFFAOYSA-M
MW283.76 g/mol
LogP-0.22
Rot. Bonds

About magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide

magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide (PubChem CID 133144507) has the molecular formula C7H3BrClF3Mg and a molecular weight of 283.76 g/mol. Its IUPAC name is magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide
PubChem CID133144507
Molecular FormulaC7H3BrClF3Mg
Molecular Weight283.76 g/mol
Exact Mass281.89
IUPAC Namemagnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide
SMILESFC(F)(F)c1cc[c-]cc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C7H3ClF3.BrH.Mg/c8-6-4-2-1-3-5(6)7(9,10)11;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeySHFWNGGJYFUGFY-UHFFFAOYSA-M
XLogP-0.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide 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

dimagnesium;1-chloro-2-(trifluoromethyl)benzene-4-ide;methylsulfanylbenzene;dibromide
CID 19377745
lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide
CID 87932261
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
zinc;trifluoromethylbenzene;bromide
CID 171000038
1-chloro-2-(trifluoromethyl)benzene
CID 6921
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
1-chloro-2-(trifluoromethyl)benzene thiocyanate
CID 86593094
carbanide;einsteinium;trifluoromethylbenzene
CID 162562480
CID 145008308
CID 145008308
1-chloro-2-methylbenzene-5-ide;yttrium
CID 59141126
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
CID 69435849
CID 69435849

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide?
The IUPAC name of magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide (CID 133144507) is magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide?
The canonical SMILES for magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide is FC(F)(F)c1cc[c-]cc1Cl.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide?
The InChIKey is SHFWNGGJYFUGFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3ClF3.BrH.Mg/c8-6-4-2-1-3-5(6)7(9,10)11;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide?
magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide has a molecular weight of 283.76 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide is sourced from PubChem (CID 133144507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).