2,4,5-Trifluorophenylacetic acid

CAS 209995-38-0  ·  C8H5F3O2  ·  MW 190.12 g/mol

Full record: 2,4,5-Trifluorophenylacetic acid — Safety Data Sheet →

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3D model 2,4,5-Trifluorophenylacetic acid, CAS 209995-38-0, molecular formula C8H5F3O2, molar mass 190.12 g/mol

Model views

  • 2,4,5-Trifluorophenylacetic acid (CAS 209995-38-0) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2,4,5-Trifluorophenylacetic acid (CAS 209995-38-0) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2,4,5-Trifluorophenylacetic acid (CAS 209995-38-0) – 2D structure, MolGod Viewer
    2D structure

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2,4,5-Trifluorophenylacetic acid (CAS 209995-38-0), C8H5F3O2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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About 2,4,5-Trifluorophenylacetic acid

2,4,5-Trifluorophenylacetic acid is a chemical compound registered under number CAS 209995-38-0, with the molecular formula C8H5F3O2, and a molar mass of 190.12 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 2-(2,4,5-trifluorophenyl)acetic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.7 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC8H5F3O2
Molar mass190.12 g/mol
IUPAC2-(2,4,5-trifluorophenyl)acetic acid
SMILESC1=C(C(=CC(=C1F)F)F)CC(=O)O
InChIKeyYSQLGGQUQDTBSL-UHFFFAOYSA-N
logP (XLogP3)1.7
PSA37.3 Ų
HBD / HBA1 / 5
PubChem CIDCID 2777950 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07

H315 — Causes skin irritation

H318 — Causes serious eye damage

H335 — May cause respiratory irritation

H319 — Causes serious eye irritation

Scientific literature

Brak articles naukowych dla CAS 209995-38-0 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2,4,5-Trifluorophenylacetic acid · 2-(2,4,5-trifluorophenyl)acetic Acid · (2,4,5-trifluorophenyl)acetic acid · RefChem:442784 · DTXCID80331748 · 466-070-3 · 606-684-2 · 209995-38-0 · Benzeneacetic acid, 2,4,5-trifluoro- · 2,4,5-Trifluorobenzeneacetic Acid · MFCD00082479 · 2,4,5-Trifluorophenylaceticacid · 2,4,5-Trifiuorophenylacetic acid · SCHEMBL332576 · (2,4,5-trifluorophenyl)-acetic acid
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2,4,5-Trifluorophenylacetic acid · 209995-38-0
InChIKey
YSQLGGQUQDTBSL-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2,4,5-Trifluorophenylacetic acid (CAS 209995-38-0)
License & provenance record
2,4,5-Trifluorophenylacetic acid (CAS 209995-38-0) →
MolGod molecule record
2,4,5-Trifluorophenylacetic acid →
Source data
PubChem CID 2777950 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
f66b053189cbe72d7211ec1cd4e08a3ca7df2b01840fa845f4e365b4cdf69d56
MD5 (STL)
d0ff7db25ba3dd84eddb7af95802caa2
MolGod Identification Number
MG_888-988-059-93
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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