magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide

C6H4BrF3Mg — CID 87244368

IUPACmagnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide
SMILESBr.Fc1[c-]cccc1F.[F-].[Mg+2]
InChIInChI=1S/C6H3F2.BrH.FH.Mg/c7-5-3-1-2-4-6(5)8;;;/h1-3H;2*1H;/q-1;;;+2/p-1
InChIKeyRCSCNMIRDSQMTN-UHFFFAOYSA-M
MW237.30 g/mol
LogP-1.03
Rot. Bonds

About magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide

magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide (PubChem CID 87244368) has the molecular formula C6H4BrF3Mg and a molecular weight of 237.30 g/mol. Its IUPAC name is magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide.

Molecular Properties

Compound Namemagnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide
PubChem CID87244368
Molecular FormulaC6H4BrF3Mg
Molecular Weight237.30 g/mol
Exact Mass235.93
IUPAC Namemagnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide
SMILESBr.Fc1[c-]cccc1F.[F-].[Mg+2]
InChIInChI=1S/C6H3F2.BrH.FH.Mg/c7-5-3-1-2-4-6(5)8;;;/h1-3H;2*1H;/q-1;;;+2/p-1
InChIKeyRCSCNMIRDSQMTN-UHFFFAOYSA-M
XLogP-1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-1.03
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;1,2-difluorobenzene-6-ide;fluoride;hydrobromide?
The IUPAC name of magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide (CID 87244368) is magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide.
What is the SMILES notation for magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide?
The canonical SMILES for magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide is Br.Fc1[c-]cccc1F.[F-].[Mg+2].
What is the InChIKey of magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide?
The InChIKey is RCSCNMIRDSQMTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F2.BrH.FH.Mg/c7-5-3-1-2-4-6(5)8;;;/h1-3H;2*1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide?
magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide has a molecular weight of 237.30 g/mol, XLogP of -1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide is sourced from PubChem (CID 87244368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).