magnesium;trifluoromethoxybenzene;bromide

C7H4BrF3MgO — CID 87890922

IUPACmagnesium;trifluoromethoxybenzene;bromide
SMILESFC(F)(F)Oc1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-4H;1H;/q-1;;+2/p-1
InChIKeyXPLMKSGPPADFSH-UHFFFAOYSA-M
MW265.31 g/mol
LogP-0.99
Rot. Bonds1

About magnesium;trifluoromethoxybenzene;bromide

magnesium;trifluoromethoxybenzene;bromide (PubChem CID 87890922) 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 CID87890922
Molecular FormulaC7H4BrF3MgO
Molecular Weight265.31 g/mol
Exact Mass263.92
IUPAC Namemagnesium;trifluoromethoxybenzene;bromide
SMILESFC(F)(F)Oc1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-4H;1H;/q-1;;+2/p-1
InChIKeyXPLMKSGPPADFSH-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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Related Compounds

Magnesium bromide 4-(trifluoromethoxy)benzen-1-ide (1/1/1)
CID 13504095
3-Fluoro-4-methoxyphenylmagnesium bromide
CID 2778214
5-Fluoro-2-methoxyphenylmagnesium bromide
CID 2778879
3-(Trifluoromethoxy)phenylmagnesium bromide
CID 71310845
Chlorozinc(1+);trifluoromethoxybenzene
CID 20709010
Lithium trifluoromethoxybenzene
CID 134971061
Manganese;trifluoromethoxybenzene
CID 134863370
(3-(trifluoromethoxy)phenyl)zinc(II) chloride
CID 156599699
Magnesium bromide 3-fluoro-4-methoxybenzen-1-ide (1/1/1)
CID 6093570
Lithium trifluoromethoxybenzene
CID 22371263
2,4-Difluoro-6-methylidenepyran
CID 54513498
Lithium 4-[(trifluoroethenyl)oxy]benzen-1-ide
CID 71357367

Frequently Asked Questions

What is the IUPAC name of magnesium;trifluoromethoxybenzene;bromide?
The IUPAC name of magnesium;trifluoromethoxybenzene;bromide (CID 87890922) is magnesium;trifluoromethoxybenzene;bromide.
What is the SMILES notation for magnesium;trifluoromethoxybenzene;bromide?
The canonical SMILES for magnesium;trifluoromethoxybenzene;bromide is FC(F)(F)Oc1[c-]cccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;trifluoromethoxybenzene;bromide?
The InChIKey is XPLMKSGPPADFSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-4H;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 87890922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).