5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid

C6H5AlFNO3 — CID 147046828

IUPAC5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid
SMILESC=[Al]c1noc(CF)c1C(=O)O
InChIInChI=1S/C5H3FNO3.CH2.Al/c6-1-4-3(5(8)9)2-7-10-4;;/h1H2,(H,8,9);1H2;
InChIKeyBANTZTFAIZNPMK-UHFFFAOYSA-N
MW185.09 g/mol
LogP-0.40
Rot. Bonds3

About 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid

5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid (PubChem CID 147046828) has the molecular formula C6H5AlFNO3 and a molecular weight of 185.09 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid
PubChem CID147046828
Molecular FormulaC6H5AlFNO3
Molecular Weight185.09 g/mol
Exact Mass185.01
IUPAC Name5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid
SMILESC=[Al]c1noc(CF)c1C(=O)O
InChIInChI=1S/C5H3FNO3.CH2.Al/c6-1-4-3(5(8)9)2-7-10-4;;/h1H2,(H,8,9);1H2;
InChIKeyBANTZTFAIZNPMK-UHFFFAOYSA-N
XLogP-0.40
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid (CID 147046828) is 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid is C=[Al]c1noc(CF)c1C(=O)O.
What is the InChIKey of 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is BANTZTFAIZNPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FNO3.CH2.Al/c6-1-4-3(5(8)9)2-7-10-4;;/h1H2,(H,8,9);1H2;.
What are the key properties of 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid?
5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 185.09 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-methylidenealumanyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 147046828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).