4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid

C12H12FNO3 — CID 2782740

IUPAC4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C12H12FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,7H,3-6H2,(H,16,17)
InChIKeyZDCJLZIXLLVVRJ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.58
Rot. Bonds3

About 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid

4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid (PubChem CID 2782740) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid
PubChem CID2782740
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C12H12FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,7H,3-6H2,(H,16,17)
InChIKeyZDCJLZIXLLVVRJ-UHFFFAOYSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic 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 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid (CID 2782740) is 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid?
The InChIKey is ZDCJLZIXLLVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,7H,3-6H2,(H,16,17).
What are the key properties of 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid?
4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid has a molecular weight of 237.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 2782740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).