magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide

C10H11BrF2MgO2 — CID 91655450

IUPACmagnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide
SMILESCCOCCOc1[c-]cc(F)cc1F.[Br-].[Mg+2]
InChIInChI=1S/C10H11F2O2.BrH.Mg/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12;;/h3,7H,2,5-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPAJSTTRHLPDSAM-UHFFFAOYSA-M
MW305.40 g/mol
LogP-1.20
Rot. Bonds5

About magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide

magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide (PubChem CID 91655450) has the molecular formula C10H11BrF2MgO2 and a molecular weight of 305.40 g/mol. Its IUPAC name is magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide
PubChem CID91655450
Molecular FormulaC10H11BrF2MgO2
Molecular Weight305.40 g/mol
Exact Mass303.98
IUPAC Namemagnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide
SMILESCCOCCOc1[c-]cc(F)cc1F.[Br-].[Mg+2]
InChIInChI=1S/C10H11F2O2.BrH.Mg/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12;;/h3,7H,2,5-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPAJSTTRHLPDSAM-UHFFFAOYSA-M
XLogP-1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide?
The IUPAC name of magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide (CID 91655450) is magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide?
The canonical SMILES for magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide is CCOCCOc1[c-]cc(F)cc1F.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide?
The InChIKey is PAJSTTRHLPDSAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11F2O2.BrH.Mg/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12;;/h3,7H,2,5-6H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide?
magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide has a molecular weight of 305.40 g/mol, XLogP of -1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(2-ethoxyethoxy)-2,4-difluorobenzene-6-ide;bromide is sourced from PubChem (CID 91655450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).