2-(4-fluorobenzoyl)indene-1,3-dione

C16H9FO3 — CID 122369754

IUPAC2-(4-fluorobenzoyl)indene-1,3-dione
SMILESO=C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H9FO3/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,13H
InChIKeyGNNOPWVZOFUGEQ-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.70
Rot. Bonds2

About 2-(4-fluorobenzoyl)indene-1,3-dione

2-(4-fluorobenzoyl)indene-1,3-dione (PubChem CID 122369754) has the molecular formula C16H9FO3 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)indene-1,3-dione
PubChem CID122369754
Molecular FormulaC16H9FO3
Molecular Weight268.24 g/mol
Exact Mass268.05
IUPAC Name2-(4-fluorobenzoyl)indene-1,3-dione
SMILESO=C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H9FO3/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,13H
InChIKeyGNNOPWVZOFUGEQ-UHFFFAOYSA-N
XLogP2.70
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(4-fluorobenzoyl)indene-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334
2-hydroxyindene-1,3-dione
CID 10219583
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
2-benzoyl-5-methoxyindene-1,3-dione
CID 122369760
2-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]indene-1,3-dione
CID 7342721
2-benzoyl-4-fluoro-2,3-dihydroinden-1-one
CID 83066498
(4-fluorophenyl)-phenylmethanone
CID 161464622
[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
CID 25112566
4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
CID 4743268
4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
CID 13193099
(4-chlorophenyl)-(9H-fluoren-9-yl)methanone
CID 15191914
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)indene-1,3-dione?
The IUPAC name of 2-(4-fluorobenzoyl)indene-1,3-dione (CID 122369754) is 2-(4-fluorobenzoyl)indene-1,3-dione.
What is the SMILES notation for 2-(4-fluorobenzoyl)indene-1,3-dione?
The canonical SMILES for 2-(4-fluorobenzoyl)indene-1,3-dione is O=C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-fluorobenzoyl)indene-1,3-dione?
The InChIKey is GNNOPWVZOFUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FO3/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,13H.
What are the key properties of 2-(4-fluorobenzoyl)indene-1,3-dione?
2-(4-fluorobenzoyl)indene-1,3-dione has a molecular weight of 268.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)indene-1,3-dione is sourced from PubChem (CID 122369754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).