(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate

C11H9FO3 — CID 175010012

IUPAC(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
SMILESCC(=O)OC1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H9FO3/c1-6(13)15-10-5-7-4-8(12)2-3-9(7)11(10)14/h2-4,10H,5H2,1H3
InChIKeyKFORYYVGKZDPEM-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.50
Rot. Bonds1

About (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate

(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate (PubChem CID 175010012) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate.

Molecular Properties

Compound Name(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
PubChem CID175010012
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
SMILESCC(=O)OC1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H9FO3/c1-6(13)15-10-5-7-4-8(12)2-3-9(7)11(10)14/h2-4,10H,5H2,1H3
InChIKeyKFORYYVGKZDPEM-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate 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-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
The IUPAC name of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate (CID 175010012) is (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate.
What is the SMILES notation for (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
The canonical SMILES for (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate is CC(=O)OC1Cc2cc(F)ccc2C1=O.
What is the InChIKey of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
The InChIKey is KFORYYVGKZDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6(13)15-10-5-7-4-8(12)2-3-9(7)11(10)14/h2-4,10H,5H2,1H3.
What are the key properties of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate has a molecular weight of 208.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate is sourced from PubChem (CID 175010012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).