magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide

C9H9BrF2MgO — CID 91656071

IUPACmagnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide
SMILESCCCOc1c[c-]cc(F)c1F.[Br-].[Mg+2]
InChIInChI=1S/C9H9F2O.BrH.Mg/c1-2-6-12-8-5-3-4-7(10)9(8)11;;/h4-5H,2,6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPGSDTNAMYBWGKJ-UHFFFAOYSA-M
MW275.38 g/mol
LogP-0.82
Rot. Bonds3

About magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide

magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide (PubChem CID 91656071) has the molecular formula C9H9BrF2MgO and a molecular weight of 275.38 g/mol. Its IUPAC name is magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide
PubChem CID91656071
Molecular FormulaC9H9BrF2MgO
Molecular Weight275.38 g/mol
Exact Mass273.97
IUPAC Namemagnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide
SMILESCCCOc1c[c-]cc(F)c1F.[Br-].[Mg+2]
InChIInChI=1S/C9H9F2O.BrH.Mg/c1-2-6-12-8-5-3-4-7(10)9(8)11;;/h4-5H,2,6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPGSDTNAMYBWGKJ-UHFFFAOYSA-M
XLogP-0.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-difluoro-3-propoxybenzene-5-ide;bromide?
The IUPAC name of magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide (CID 91656071) is magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide.
What is the SMILES notation for magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide?
The canonical SMILES for magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide is CCCOc1c[c-]cc(F)c1F.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide?
The InChIKey is PGSDTNAMYBWGKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9F2O.BrH.Mg/c1-2-6-12-8-5-3-4-7(10)9(8)11;;/h4-5H,2,6H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide?
magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide has a molecular weight of 275.38 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-difluoro-3-propoxybenzene-5-ide;bromide is sourced from PubChem (CID 91656071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).