structure of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

CAS No.: 1000547-15-8
M. Wt: 186.15
M. Fa: C9H8F2O2
InChI Key: KDYGLVQGRMDQBI-UHFFFAOYSA-N

Names and Identifiers of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

CAS Number

1000547-15-8

MDL Number

MFCD09925304

IUPAC Name

2-[3-(difluoromethyl)phenyl]acetic acid

InChI

InChI=1S/C9H8F2O2/c10-9(11)7-3-1-2-6(4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)

InChIKey

KDYGLVQGRMDQBI-UHFFFAOYSA-N

Canonical SMILES

O=C(O)CC1=CC=CC(C(F)F)=C1

UNSPSC Code

12352100

Physical and chemical properties of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

H Bond Acceptors

2

H Bond Donors

1

LogP

2.00008209433333

Molecular Formula

C9H8F2O2

Molecular Weight

186.15

Safety Information of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

2-(3-(Difluoromethyl)phenyl)acetic acid has potential applications in various fields:

  • Pharmaceutical Development: Due to its unique chemical properties, it may serve as a lead compound in drug discovery, particularly in developing new therapeutics targeting specific diseases.
  • Agricultural Chemistry: The compound's biological activity suggests potential uses in agrochemicals, possibly as a pesticide or herbicide.
  • Material Science: Its unique structural features may allow for applications in developing advanced materials with specific functionalities.

Interaction Studies of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

Interaction studies involving 2-(3-(Difluoromethyl)phenyl)acetic acid focus on understanding how this compound binds to biological targets. These studies typically employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific enzymes or receptors at the molecular level.
  • In Vitro Assays: To assess the biological activity and efficacy of the compound against various cell lines or biological systems.

Preliminary results indicate that the difluoromethyl group enhances interaction strength and selectivity towards certain targets, warranting further investigation into its pharmacodynamics.

Biological Activity of BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-

The biological activity of 2-(3-(Difluoromethyl)phenyl)acetic acid is linked to its ability to interact with specific molecular targets. The difluoromethyl group may enhance its binding affinity and reactivity with enzymes and receptors, potentially influencing various biochemical processes. While detailed studies are necessary to elucidate the exact mechanisms of action, preliminary findings suggest that this compound could exhibit significant pharmacological properties, possibly affecting metabolic pathways or acting as an enzyme inhibitor.