6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid

C10H12FNO4 — CID 156695626

IUPAC6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid
SMILESO=C(O)CCCCC(F)N1C(=O)C=CC1=O
InChIInChI=1S/C10H12FNO4/c11-7(3-1-2-4-10(15)16)12-8(13)5-6-9(12)14/h5-7H,1-4H2,(H,15,16)
InChIKeyQEOGAEMHGVHBHT-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.85
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid

6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid (PubChem CID 156695626) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid
PubChem CID156695626
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid
SMILESO=C(O)CCCCC(F)N1C(=O)C=CC1=O
InChIInChI=1S/C10H12FNO4/c11-7(3-1-2-4-10(15)16)12-8(13)5-6-9(12)14/h5-7H,1-4H2,(H,15,16)
InChIKeyQEOGAEMHGVHBHT-UHFFFAOYSA-N
XLogP0.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid (CID 156695626) is 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid is O=C(O)CCCCC(F)N1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid?
The InChIKey is QEOGAEMHGVHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c11-7(3-1-2-4-10(15)16)12-8(13)5-6-9(12)14/h5-7H,1-4H2,(H,15,16).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid?
6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid has a molecular weight of 229.21 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-6-fluorohexanoic acid is sourced from PubChem (CID 156695626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).