3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid

C11H8FNO4 — CID 605702

IUPAC3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C11H8FNO4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4H2,(H,14,15)
InChIKeyJLSUYUIARWVWKZ-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.90
Rot. Bonds3

About 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid

3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid (PubChem CID 605702) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid
PubChem CID605702
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C11H8FNO4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4H2,(H,14,15)
InChIKeyJLSUYUIARWVWKZ-UHFFFAOYSA-N
XLogP0.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid (CID 605702) is 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid is O=C(O)CCN1C(=O)c2ccc(F)cc2C1=O.
What is the InChIKey of 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid?
The InChIKey is JLSUYUIARWVWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-6-1-2-7-8(5-6)11(17)13(10(7)16)4-3-9(14)15/h1-2,5H,3-4H2,(H,14,15).
What are the key properties of 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid?
3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid has a molecular weight of 237.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoic acid is sourced from PubChem (CID 605702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).