2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid

C10H6FNO4 — CID 130161137

IUPAC2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C10H6FNO4/c11-6-3-1-2-5-8(6)10(16)12(9(5)15)4-7(13)14/h1-3H,4H2,(H,13,14)
InChIKeySLCVGIYERKJJHE-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.51
Rot. Bonds2

About 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid

2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid (PubChem CID 130161137) has the molecular formula C10H6FNO4 and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
PubChem CID130161137
Molecular FormulaC10H6FNO4
Molecular Weight223.16 g/mol
Exact Mass223.03
IUPAC Name2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C10H6FNO4/c11-6-3-1-2-5-8(6)10(16)12(9(5)15)4-7(13)14/h1-3H,4H2,(H,13,14)
InChIKeySLCVGIYERKJJHE-UHFFFAOYSA-N
XLogP0.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.51
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 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid (CID 130161137) is 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid is O=C(O)CN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid?
The InChIKey is SLCVGIYERKJJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO4/c11-6-3-1-2-5-8(6)10(16)12(9(5)15)4-7(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid?
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid has a molecular weight of 223.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid is sourced from PubChem (CID 130161137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).