Details of the Drug

General Information of Drug (ID: DM38Q7W)

Drug Name

1,2-bis(4-fluorophenyl)ethane-1,2-dione

Synonyms

4,4'-Difluorobenzil; 579-39-5; 1,2-bis(4-fluorophenyl)ethane-1,2-dione; Ethanedione, bis(4-fluorophenyl)-; 4,4'-Difluorodibenzoyl; CHEMBL192410; 1,2-Ethanedione, 1,2-bis(4-fluorophenyl)-; BRKULQOUSCHDGS-UHFFFAOYSA-N; MFCD00134541; 1,2-Bis(4-fluorophenyl)-1,2-ethanedione; difluorobenzil; C14H8F2O2; 4,4'difluorobenzil; PubChem7683; ACMC-1AYLX; 4,4'-Difluorobibenzoyl; AC1L3VST; Benzil-based compound, 8; AC1Q5E6G; SCHEMBL716295; 4,4'-Difluorobenzil, 98%; DTXSID3060374; BDBM22730; MolPort-000-154-273; ZX-AP007762; ZINC2504724

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

246.21

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H8F2O2
IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-dione
Canonical SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
InChI: InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey: BRKULQOUSCHDGS-UHFFFAOYSA-N