2-benzoyl-4-fluoro-2,3-dihydroinden-1-one

C16H11FO2 — CID 83066498

IUPAC2-benzoyl-4-fluoro-2,3-dihydroinden-1-one
SMILESO=C(c1ccccc1)C1Cc2c(F)cccc2C1=O
InChIInChI=1S/C16H11FO2/c17-14-8-4-7-11-12(14)9-13(16(11)19)15(18)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeySBAMCOVGEYROTA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.06
Rot. Bonds2

About 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one

2-benzoyl-4-fluoro-2,3-dihydroinden-1-one (PubChem CID 83066498) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-benzoyl-4-fluoro-2,3-dihydroinden-1-one
PubChem CID83066498
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name2-benzoyl-4-fluoro-2,3-dihydroinden-1-one
SMILESO=C(c1ccccc1)C1Cc2c(F)cccc2C1=O
InChIInChI=1S/C16H11FO2/c17-14-8-4-7-11-12(14)9-13(16(11)19)15(18)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeySBAMCOVGEYROTA-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroacetyl)-4-fluoro-2,3-dihydroinden-1-one
CID 83067355
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CID 116531409
3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 83752744
2-(4-fluorobenzoyl)indene-1,3-dione
CID 122369754
2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 175736121
N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 82159498
(3S,4R)-3-benzoyl-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 45102125
3-benzoylpyrrolidine-2,5-dione
CID 15178182
5-benzoyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 2950624
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
2-benzoylcyclopentane-1,3-dione
CID 15625879
5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 82158455

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one (CID 83066498) is 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one is O=C(c1ccccc1)C1Cc2c(F)cccc2C1=O.
What is the InChIKey of 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one?
The InChIKey is SBAMCOVGEYROTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c17-14-8-4-7-11-12(14)9-13(16(11)19)15(18)10-5-2-1-3-6-10/h1-8,13H,9H2.
What are the key properties of 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one?
2-benzoyl-4-fluoro-2,3-dihydroinden-1-one has a molecular weight of 254.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 83066498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).