magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride

C10H11FMgO3 — CID 173293862

IUPACmagnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride
SMILESO=C(O)C(Cc1ccccc1)C(=O)F.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H9FO3.Mg.2H/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7;;;/h1-5,8H,6H2,(H,13,14);;;/q;+2;2*-1
InChIKeyMUPYXTOFKARGNP-UHFFFAOYSA-N
MW222.50 g/mol
LogP1.27
Rot. Bonds4

About magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride

magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride (PubChem CID 173293862) has the molecular formula C10H11FMgO3 and a molecular weight of 222.50 g/mol. Its IUPAC name is magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride
PubChem CID173293862
Molecular FormulaC10H11FMgO3
Molecular Weight222.50 g/mol
Exact Mass222.05
IUPAC Namemagnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride
SMILESO=C(O)C(Cc1ccccc1)C(=O)F.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H9FO3.Mg.2H/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7;;;/h1-5,8H,6H2,(H,13,14);;;/q;+2;2*-1
InChIKeyMUPYXTOFKARGNP-UHFFFAOYSA-N
XLogP1.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.50
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642
2-benzyl-3-methylbut-3-enoic acid
CID 57064643
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
disodium;2-benzylpropanedioate
CID 141289309
(2S)-2-benzyl-3-oxo-4-sulfanylidenebutanoic acid
CID 54354027
2-benzyl-3-oxo-3-(trifluoromethoxy)propanoic acid
CID 175943046
CID 160513351
CID 160513351
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332

Frequently Asked Questions

What is the IUPAC name of magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride?
The IUPAC name of magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride (CID 173293862) is magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride.
What is the SMILES notation for magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride?
The canonical SMILES for magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride is O=C(O)C(Cc1ccccc1)C(=O)F.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride?
The InChIKey is MUPYXTOFKARGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3.Mg.2H/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7;;;/h1-5,8H,6H2,(H,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride?
magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride has a molecular weight of 222.50 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-benzyl-3-fluoro-3-oxopropanoic acid;hydride is sourced from PubChem (CID 173293862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).