magnesium;1-ethyl-3-fluorobenzene;bromide

C8H8BrFMg — CID 24722724

IUPACmagnesium;1-ethyl-3-fluorobenzene;bromide
SMILES[Br-].[CH2-]Cc1cccc(F)c1.[Mg+2]
InChIInChI=1S/C8H8F.BrH.Mg/c1-2-7-4-3-5-8(9)6-7;;/h3-6H,1-2H2;1H;/q-1;;+2/p-1
InChIKeyJPXYCVSTEYCFJG-UHFFFAOYSA-M
MW227.36 g/mol
LogP-1.17
Rot. Bonds1

About magnesium;1-ethyl-3-fluorobenzene;bromide

magnesium;1-ethyl-3-fluorobenzene;bromide (PubChem CID 24722724) has the molecular formula C8H8BrFMg and a molecular weight of 227.36 g/mol. Its IUPAC name is magnesium;1-ethyl-3-fluorobenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-ethyl-3-fluorobenzene;bromide
PubChem CID24722724
Molecular FormulaC8H8BrFMg
Molecular Weight227.36 g/mol
Exact Mass225.96
IUPAC Namemagnesium;1-ethyl-3-fluorobenzene;bromide
SMILES[Br-].[CH2-]Cc1cccc(F)c1.[Mg+2]
InChIInChI=1S/C8H8F.BrH.Mg/c1-2-7-4-3-5-8(9)6-7;;/h3-6H,1-2H2;1H;/q-1;;+2/p-1
InChIKeyJPXYCVSTEYCFJG-UHFFFAOYSA-M
XLogP-1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorophenyl)methanolate
CID 101198036
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
(3-fluorophenyl)methyl-dimethylsulfanium
CID 139727514
2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
CID 117266417
CID 175350764
CID 175350764
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
(3-fluorophenyl)methylphosphonic acid
CID 14926087
1-[(aminodiazenyl)methyl]-3-fluorobenzene
CID 123306710

Frequently Asked Questions

What is the IUPAC name of magnesium;1-ethyl-3-fluorobenzene;bromide?
The IUPAC name of magnesium;1-ethyl-3-fluorobenzene;bromide (CID 24722724) is magnesium;1-ethyl-3-fluorobenzene;bromide.
What is the SMILES notation for magnesium;1-ethyl-3-fluorobenzene;bromide?
The canonical SMILES for magnesium;1-ethyl-3-fluorobenzene;bromide is [Br-].[CH2-]Cc1cccc(F)c1.[Mg+2].
What is the InChIKey of magnesium;1-ethyl-3-fluorobenzene;bromide?
The InChIKey is JPXYCVSTEYCFJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F.BrH.Mg/c1-2-7-4-3-5-8(9)6-7;;/h3-6H,1-2H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-ethyl-3-fluorobenzene;bromide?
magnesium;1-ethyl-3-fluorobenzene;bromide has a molecular weight of 227.36 g/mol, XLogP of -1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-ethyl-3-fluorobenzene;bromide is sourced from PubChem (CID 24722724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).