2-(2-fluorobenzoyl)cyclopentane-1,3-dione

C12H9FO3 — CID 125483362

IUPAC2-(2-fluorobenzoyl)cyclopentane-1,3-dione
SMILESO=C1CCC(=O)C1C(=O)c1ccccc1F
InChIInChI=1S/C12H9FO3/c13-8-4-2-1-3-7(8)12(16)11-9(14)5-6-10(11)15/h1-4,11H,5-6H2
InChIKeyJGMFJHFRCUUFRW-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-fluorobenzoyl)cyclopentane-1,3-dione

2-(2-fluorobenzoyl)cyclopentane-1,3-dione (PubChem CID 125483362) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(2-fluorobenzoyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(2-fluorobenzoyl)cyclopentane-1,3-dione
PubChem CID125483362
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name2-(2-fluorobenzoyl)cyclopentane-1,3-dione
SMILESO=C1CCC(=O)C1C(=O)c1ccccc1F
InChIInChI=1S/C12H9FO3/c13-8-4-2-1-3-7(8)12(16)11-9(14)5-6-10(11)15/h1-4,11H,5-6H2
InChIKeyJGMFJHFRCUUFRW-UHFFFAOYSA-N
XLogP1.56
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
2-benzoylcyclopentane-1,3-dione
CID 15625879
2-(2-methylbenzoyl)cyclohexane-1,3-dione
CID 14301714
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
CID 53415342
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
CID 99719002
2-fluorobenzoyl chloride
CID 9808
1-(2-fluorobenzoyl)piperidine-2,6-dione
CID 176734480

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorobenzoyl)cyclopentane-1,3-dione?
The IUPAC name of 2-(2-fluorobenzoyl)cyclopentane-1,3-dione (CID 125483362) is 2-(2-fluorobenzoyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-(2-fluorobenzoyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-(2-fluorobenzoyl)cyclopentane-1,3-dione is O=C1CCC(=O)C1C(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorobenzoyl)cyclopentane-1,3-dione?
The InChIKey is JGMFJHFRCUUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c13-8-4-2-1-3-7(8)12(16)11-9(14)5-6-10(11)15/h1-4,11H,5-6H2.
What are the key properties of 2-(2-fluorobenzoyl)cyclopentane-1,3-dione?
2-(2-fluorobenzoyl)cyclopentane-1,3-dione has a molecular weight of 220.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorobenzoyl)cyclopentane-1,3-dione is sourced from PubChem (CID 125483362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).