magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide

C11H14BrFMgO — CID 133143473

IUPACmagnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide
SMILESCCCCCOc1[c-]cccc1F.[Br-].[Mg+2]
InChIInChI=1S/C11H14FO.BrH.Mg/c1-2-3-6-9-13-11-8-5-4-7-10(11)12;;/h4-5,7H,2-3,6,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyUWLFAUQMLRQKDR-UHFFFAOYSA-M
MW285.44 g/mol
LogP-0.18
Rot. Bonds5

About magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide

magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide (PubChem CID 133143473) has the molecular formula C11H14BrFMgO and a molecular weight of 285.44 g/mol. Its IUPAC name is magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide
PubChem CID133143473
Molecular FormulaC11H14BrFMgO
Molecular Weight285.44 g/mol
Exact Mass284.01
IUPAC Namemagnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide
SMILESCCCCCOc1[c-]cccc1F.[Br-].[Mg+2]
InChIInChI=1S/C11H14FO.BrH.Mg/c1-2-3-6-9-13-11-8-5-4-7-10(11)12;;/h4-5,7H,2-3,6,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyUWLFAUQMLRQKDR-UHFFFAOYSA-M
XLogP-0.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide?
The IUPAC name of magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide (CID 133143473) is magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide.
What is the SMILES notation for magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide?
The canonical SMILES for magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide is CCCCCOc1[c-]cccc1F.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide?
The InChIKey is UWLFAUQMLRQKDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14FO.BrH.Mg/c1-2-3-6-9-13-11-8-5-4-7-10(11)12;;/h4-5,7H,2-3,6,9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide?
magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide has a molecular weight of 285.44 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide is sourced from PubChem (CID 133143473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).