magnesium;1,4-difluorobenzene-6-ide;bromide

C6H3BrF2Mg — CID 59970526

IUPACmagnesium;1,4-difluorobenzene-6-ide;bromide
SMILESFc1[c-]cc(F)cc1.[Br-].[Mg+2]
InChIInChI=1S/C6H3F2.BrH.Mg/c7-5-1-2-6(8)4-3-5;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyVJDFXBHZEGXANA-UHFFFAOYSA-M
MW217.30 g/mol
LogP-1.61
Rot. Bonds

About magnesium;1,4-difluorobenzene-6-ide;bromide

magnesium;1,4-difluorobenzene-6-ide;bromide (PubChem CID 59970526) has the molecular formula C6H3BrF2Mg and a molecular weight of 217.30 g/mol. Its IUPAC name is magnesium;1,4-difluorobenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,4-difluorobenzene-6-ide;bromide
PubChem CID59970526
Molecular FormulaC6H3BrF2Mg
Molecular Weight217.30 g/mol
Exact Mass215.92
IUPAC Namemagnesium;1,4-difluorobenzene-6-ide;bromide
SMILESFc1[c-]cc(F)cc1.[Br-].[Mg+2]
InChIInChI=1S/C6H3F2.BrH.Mg/c7-5-1-2-6(8)4-3-5;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyVJDFXBHZEGXANA-UHFFFAOYSA-M
XLogP-1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 5-1.61
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 magnesium;1,4-difluorobenzene-6-ide;bromide?
The IUPAC name of magnesium;1,4-difluorobenzene-6-ide;bromide (CID 59970526) is magnesium;1,4-difluorobenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,4-difluorobenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,4-difluorobenzene-6-ide;bromide is Fc1[c-]cc(F)cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,4-difluorobenzene-6-ide;bromide?
The InChIKey is VJDFXBHZEGXANA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F2.BrH.Mg/c7-5-1-2-6(8)4-3-5;;/h1-3H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,4-difluorobenzene-6-ide;bromide?
magnesium;1,4-difluorobenzene-6-ide;bromide has a molecular weight of 217.30 g/mol, XLogP of -1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,4-difluorobenzene-6-ide;bromide is sourced from PubChem (CID 59970526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).