3-ethenoxy-2-fluoropropanoic acid

C5H7FO3 — CID 174873765

IUPAC3-ethenoxy-2-fluoropropanoic acid
SMILESC=COCC(F)C(=O)O
InChIInChI=1S/C5H7FO3/c1-2-9-3-4(6)5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyUAWWCEQTDIDPBG-UHFFFAOYSA-N
MW134.11 g/mol
LogP0.57
Rot. Bonds4

About 3-ethenoxy-2-fluoropropanoic acid

3-ethenoxy-2-fluoropropanoic acid (PubChem CID 174873765) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is 3-ethenoxy-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-ethenoxy-2-fluoropropanoic acid
PubChem CID174873765
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name3-ethenoxy-2-fluoropropanoic acid
SMILESC=COCC(F)C(=O)O
InChIInChI=1S/C5H7FO3/c1-2-9-3-4(6)5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyUAWWCEQTDIDPBG-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-2-fluoropropanoic acid?
The IUPAC name of 3-ethenoxy-2-fluoropropanoic acid (CID 174873765) is 3-ethenoxy-2-fluoropropanoic acid.
What is the SMILES notation for 3-ethenoxy-2-fluoropropanoic acid?
The canonical SMILES for 3-ethenoxy-2-fluoropropanoic acid is C=COCC(F)C(=O)O.
What is the InChIKey of 3-ethenoxy-2-fluoropropanoic acid?
The InChIKey is UAWWCEQTDIDPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3/c1-2-9-3-4(6)5(7)8/h2,4H,1,3H2,(H,7,8).
What are the key properties of 3-ethenoxy-2-fluoropropanoic acid?
3-ethenoxy-2-fluoropropanoic acid has a molecular weight of 134.11 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2-fluoropropanoic acid is sourced from PubChem (CID 174873765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).