3,5-Bis(trifluoromethyl)phenylacetyl chloride

CAS 174083-39-7 · C₁₀H₅ClF₆O · MW 290.59 g/mol

Full record: 3,5-Bis(trifluoromethyl)phenylacetyl chloride — Safety Data Sheet →

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2D structure

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3,5-Bis(trifluoromethyl)phenylacetyl chloride (CAS 174083-39-7), C10H5ClF6O - 3D ball-and-stick molecular model, engraved element symbols (C H Cl F O), MolGod STL preview

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Download 3D model: 3,5-Bis(trifluoromethyl)phenylacetyl chloride, C₁₀H₅ClF₆O, CAS 174083-39-7 · ENGRAVED (C, H, Cl, F, O) · 15 MB

3,5-Bis(trifluoromethyl)phenylacetyl chloride (CAS 174083-39-7), C10H5ClF6O - 3D ball-and-stick molecular model, MolGod STL preview

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About 3,5-Bis(trifluoromethyl)phenylacetyl chloride

3,5-Bis(trifluoromethyl)phenylacetyl chloride is a chemical compound registered under number CAS 174083-39-7, with the molecular formula C₁₀H₅ClF₆O, and a molar mass of 290.59 g/mol.

The molecule contains 23 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is 2-[3,5-bis(trifluoromethyl)phenyl]acetyl chloride. 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 = 4.1 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Å², 0 donors and 7 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 formula	C₁₀H₅ClF₆O
Molar mass	290.59 g/mol
IUPAC	2-[3,5-bis(trifluoromethyl)phenyl]acetyl chloride
SMILES	`C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(=O)Cl`
InChIKey	`TVVPYLZQEFOTGP-UHFFFAOYSA-N`
logP (XLogP3)	4.1
PSA	17.1 Å²
HBD / HBA	0 / 7
PubChem CID	CID 2779152 ↗

Scientific literature

Related literature

5 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (number of articles: 5)

Bar height = number of articles in a given year. Hover over a bar to see details.

Sterically crowded aryl bismuth compounds: synthesis and characterization of bis{2,4,6-tris(trifluoromethyl)phenyl} bismuth chloride and tris{2,4,6-tris(trifluoromethyl)phenyl} bismuth

Kenton H. Whitmire, D. Labahn, Herbert W. Roesky et al. (1991) · Journal of Organometallic Chemistry

Cytowania: 66$ PaywallDOI ↗

SYNTHESIS OF ELECTRON-DEFICIENT SECONDARY PHOSPHINE OXIDES AND SECONDARY PHOSPHINES: BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE OXIDE and BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE

(2007) · Organic Syntheses

Cytowania: 13$ PaywallDOI ↗

Preparation of bis[2,4-bis(trifluoromethyl)phenyl]fluorophosphine and 2,4-bis[trifluoromethyl) phenyl-[2,6-bis(trifluoromethyl)phenyl]-fluorophosphine - two distillable monofluorophosphines. Structure of cis-dichloro-bis[2,4-bis(trifluoromethyl)phenyl)fluorophosphino]platinum(II)

Lutz Heuer, Peter G. Jones, Reinhard Schmutzler (1990) · Journal of Fluorine Chemistry

Cytowania: 34$ PaywallDOI ↗

Synthesis of Electron‐Deficient Secondary Phosphine Oxides and Secondary Phosphines: Bis[3,5‐Bis(Trifluoromethyl)phenyl]phosphine Oxide and Bis[3,5‐Bis(Trifluoromethyl)Phenyl]Phosphine

Carl A. Busacca, Jon C. Lorenz, Paul Sabila et al. (2007) · Organic Syntheses

Cytowania: 1$ PaywallDOI ↗

ChemInform Abstract: Preparation of Bis(2,4‐bis(trifluoromethyl)phenyl)fluorophosphine (III) and 2,4‐Bis(trifluoromethyl)phenyl(2,6‐bis(trifluoromethyl)phenyl)fluorophosphine (IV) ‐ Two Distillable Monofluorophosphines. Structure of cis‐Dichlorobis(bis(2,4‐bis‐(trifluoromethyl)phenyl)fluorophosphino)platinum(II) (VI).

L. HEUER, F. G. JONES, R. SCHMUTZLER (1990) · ChemInform

$ PaywallDOI ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

174083-39-7 · 3,5-Bis(trifluoromethyl)phenylacetyl chloride · 2-[3,5-bis(trifluoromethyl)phenyl]acetyl Chloride · 2-(3,5-Bis(trifluoromethyl)phenyl)acetyl chloride · 3,5-Bis(trifluoromethyl)phenylacetylchloride · [3,5-Bis(trifluoromethyl)phenyl]acetyl chloride · MFCD03788501 · Benzeneacetyl chloride, 3,5-bis(trifluoromethyl)- · C10H5ClF6O · Benzeneacetyl chloride,3,5-bis(trifluoromethyl)- · SCHEMBL3329702 · AKOS015890691 · PS-10917 · DB-043969 · 2-(3,5-Bis(trifluoromethyl)phenyl)acetylchloride

Data sources

📊 PubChem CID 2779152 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitroxylene CAS 328-75-6 · C8H3F6NO2 Similar structure · Tanimoto 0.36 2,4,5-Trifluorophenylacetic acid CAS 209995-38-0 · C8H5F3O2 Similar structure · Tanimoto 0.29

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COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: 3,5-Bis(trifluoromethyl)phenylacetyl chloride · 174083-39-7
InChIKey: TVVPYLZQEFOTGP-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 3,5-Bis(trifluoromethyl)phenylacetyl chloride (CAS 174083-39-7)
License & provenance record: 3,5-Bis(trifluoromethyl)phenylacetyl chloride (CAS 174083-39-7) →
MolGod molecule record: 3,5-Bis(trifluoromethyl)phenylacetyl chloride →
Source data: PubChem CID 2779152 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 52e0b4afaeb8aa7d4e557aadbfcda8cf0d5eb920d5f4fde2c4efbf98fc2bc25d
MD5 (STL): 42b2395017ddd565da2b57232789e51e
MolGod Identification Number: MG_204-476-358-91
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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