magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide

C9H10BrFMgO — CID 91655532

IUPACmagnesium;1-fluoro-3-propoxybenzene-5-ide;bromide
SMILESCCCOc1c[c-]cc(F)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H10FO.BrH.Mg/c1-2-6-11-9-5-3-4-8(10)7-9;;/h4-5,7H,2,6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyBXAJOXXHKXWXLW-UHFFFAOYSA-M
MW257.38 g/mol
LogP-0.96
Rot. Bonds3

About magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide

magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide (PubChem CID 91655532) has the molecular formula C9H10BrFMgO and a molecular weight of 257.38 g/mol. Its IUPAC name is magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-fluoro-3-propoxybenzene-5-ide;bromide
PubChem CID91655532
Molecular FormulaC9H10BrFMgO
Molecular Weight257.38 g/mol
Exact Mass255.97
IUPAC Namemagnesium;1-fluoro-3-propoxybenzene-5-ide;bromide
SMILESCCCOc1c[c-]cc(F)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H10FO.BrH.Mg/c1-2-6-11-9-5-3-4-8(10)7-9;;/h4-5,7H,2,6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyBXAJOXXHKXWXLW-UHFFFAOYSA-M
XLogP-0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.96
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-fluoro-3-propoxybenzene-5-ide;bromide?
The IUPAC name of magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide (CID 91655532) is magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide.
What is the SMILES notation for magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide?
The canonical SMILES for magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide is CCCOc1c[c-]cc(F)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide?
The InChIKey is BXAJOXXHKXWXLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10FO.BrH.Mg/c1-2-6-11-9-5-3-4-8(10)7-9;;/h4-5,7H,2,6H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide?
magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide has a molecular weight of 257.38 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide is sourced from PubChem (CID 91655532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).