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

Phenindione
CID 4760
Diphacinone
CID 6719
Pindone
CID 6732
Fluindione
CID 68942
Fluorenone
CID 10241
Acenaphthenequinone
CID 6724
Valone
CID 6733
1-Acenaphthenone
CID 75229
1-Indanone
CID 6735
1,3-Indandione
CID 11815
4,4'-Difluorobenzil
CID 123072
2,3-Dihydro-2,6-dimethyl-1H-inden-1-one
CID 11593477

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).