2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid

C12H11FO3 — CID 10822899

IUPAC2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
SMILESCC1(CC(=O)O)CC(=O)c2cc(F)ccc21
InChIInChI=1S/C12H11FO3/c1-12(6-11(15)16)5-10(14)8-4-7(13)2-3-9(8)12/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyQGIZCUYOXKUOLO-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.14
Rot. Bonds2

About 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid

2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid (PubChem CID 10822899) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
PubChem CID10822899
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Name2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
SMILESCC1(CC(=O)O)CC(=O)c2cc(F)ccc21
InChIInChI=1S/C12H11FO3/c1-12(6-11(15)16)5-10(14)8-4-7(13)2-3-9(8)12/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyQGIZCUYOXKUOLO-UHFFFAOYSA-N
XLogP2.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic 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 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid (CID 10822899) is 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid is CC1(CC(=O)O)CC(=O)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
The InChIKey is QGIZCUYOXKUOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-12(6-11(15)16)5-10(14)8-4-7(13)2-3-9(8)12/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid has a molecular weight of 222.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid is sourced from PubChem (CID 10822899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).