fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate

C7H6FNO4 — CID 142028939

IUPACfluoro 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)OF
InChIInChI=1S/C7H6FNO4/c8-13-7(12)3-4-9-5(10)1-2-6(9)11/h1-2H,3-4H2
InChIKeyXJEWCIWKWMXONG-UHFFFAOYSA-N
MW187.13 g/mol
LogP-0.27
Rot. Bonds3

About fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate

fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 142028939) has the molecular formula C7H6FNO4 and a molecular weight of 187.13 g/mol. Its IUPAC name is fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Namefluoro 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID142028939
Molecular FormulaC7H6FNO4
Molecular Weight187.13 g/mol
Exact Mass187.03
IUPAC Namefluoro 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)OF
InChIInChI=1S/C7H6FNO4/c8-13-7(12)3-4-9-5(10)1-2-6(9)11/h1-2H,3-4H2
InChIKeyXJEWCIWKWMXONG-UHFFFAOYSA-N
XLogP-0.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 142028939) is fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate is O=C(CCN1C(=O)C=CC1=O)OF.
What is the InChIKey of fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is XJEWCIWKWMXONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO4/c8-13-7(12)3-4-9-5(10)1-2-6(9)11/h1-2H,3-4H2.
What are the key properties of fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate?
fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 187.13 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 142028939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).