magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide

C15H13BrF2Mg — CID 88795663

IUPACmagnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide
SMILES[Br-].[CH2-]C(C)c1ccc(-c2ccc(F)cc2F)cc1.[Mg+2]
InChIInChI=1S/C15H13F2.BrH.Mg/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(16)9-15(14)17;;/h3-10H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyUIXTXVLWPWCUTE-UHFFFAOYSA-M
MW335.47 g/mol
LogP1.19
Rot. Bonds2

About magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide

magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide (PubChem CID 88795663) has the molecular formula C15H13BrF2Mg and a molecular weight of 335.47 g/mol. Its IUPAC name is magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide.

Molecular Properties

Compound Namemagnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide
PubChem CID88795663
Molecular FormulaC15H13BrF2Mg
Molecular Weight335.47 g/mol
Exact Mass334.00
IUPAC Namemagnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide
SMILES[Br-].[CH2-]C(C)c1ccc(-c2ccc(F)cc2F)cc1.[Mg+2]
InChIInChI=1S/C15H13F2.BrH.Mg/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(16)9-15(14)17;;/h3-10H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyUIXTXVLWPWCUTE-UHFFFAOYSA-M
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide?
The IUPAC name of magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide (CID 88795663) is magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide.
What is the SMILES notation for magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide?
The canonical SMILES for magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide is [Br-].[CH2-]C(C)c1ccc(-c2ccc(F)cc2F)cc1.[Mg+2].
What is the InChIKey of magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide?
The InChIKey is UIXTXVLWPWCUTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13F2.BrH.Mg/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(16)9-15(14)17;;/h3-10H,1H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide?
magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide has a molecular weight of 335.47 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide is sourced from PubChem (CID 88795663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).