2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid

C5H7FO4 — CID 13350489

IUPAC2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid
SMILESCOC(=O)C(C)(F)C(=O)O
InChIInChI=1S/C5H7FO4/c1-5(6,3(7)8)4(9)10-2/h1-2H3,(H,7,8)
InChIKeyBQXMKAYOKMMUPC-UHFFFAOYSA-N
MW150.10 g/mol
LogP-0.03
Rot. Bonds2

About 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid

2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid (PubChem CID 13350489) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid
PubChem CID13350489
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid
SMILESCOC(=O)C(C)(F)C(=O)O
InChIInChI=1S/C5H7FO4/c1-5(6,3(7)8)4(9)10-2/h1-2H3,(H,7,8)
InChIKeyBQXMKAYOKMMUPC-UHFFFAOYSA-N
XLogP-0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid?
The IUPAC name of 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid (CID 13350489) is 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid is COC(=O)C(C)(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid?
The InChIKey is BQXMKAYOKMMUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c1-5(6,3(7)8)4(9)10-2/h1-2H3,(H,7,8).
What are the key properties of 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid?
2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid has a molecular weight of 150.10 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 13350489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).