magnesium;trifluoromethoxybenzene;bromide

C7H4BrF3MgO — CID 73183544

IUPACmagnesium;trifluoromethoxybenzene;bromide
SMILESFC(F)(F)Oc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyTVAJXWCOAYCCNM-UHFFFAOYSA-M
MW265.31 g/mol
LogP-0.99
Rot. Bonds1

About magnesium;trifluoromethoxybenzene;bromide

magnesium;trifluoromethoxybenzene;bromide (PubChem CID 73183544) has the molecular formula C7H4BrF3MgO and a molecular weight of 265.31 g/mol. Its IUPAC name is magnesium;trifluoromethoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;trifluoromethoxybenzene;bromide
PubChem CID73183544
Molecular FormulaC7H4BrF3MgO
Molecular Weight265.31 g/mol
Exact Mass263.92
IUPAC Namemagnesium;trifluoromethoxybenzene;bromide
SMILESFC(F)(F)Oc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyTVAJXWCOAYCCNM-UHFFFAOYSA-M
XLogP-0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.99
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;trifluoromethoxybenzene;bromide?
The IUPAC name of magnesium;trifluoromethoxybenzene;bromide (CID 73183544) is magnesium;trifluoromethoxybenzene;bromide.
What is the SMILES notation for magnesium;trifluoromethoxybenzene;bromide?
The canonical SMILES for magnesium;trifluoromethoxybenzene;bromide is FC(F)(F)Oc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;trifluoromethoxybenzene;bromide?
The InChIKey is TVAJXWCOAYCCNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;trifluoromethoxybenzene;bromide?
magnesium;trifluoromethoxybenzene;bromide has a molecular weight of 265.31 g/mol, XLogP of -0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;trifluoromethoxybenzene;bromide is sourced from PubChem (CID 73183544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).