2-Fluoro-3-(trifluoromethyl)benzoyl chloride

CAS 208173-19-7  ·  C8H3ClF4O  ·  MW 226.55 g/mol

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3D model 2-Fluoro-3-(trifluoromethyl)benzoyl chloride, CAS 208173-19-7, molecular formula C8H3ClF4O, molar mass 226.55 g/mol
About 2-Fluoro-3-(trifluoromethyl)benzoyl chloride

2-Fluoro-3-(trifluoromethyl)benzoyl chloride is a chemical compound registered under number CAS 208173-19-7, with the molecular formula C8H3ClF4O, and a molar mass of 226.55 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 2-fluoro-3-(trifluoromethyl)benzoyl 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 = 3.4 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Ų, 0 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC8H3ClF4O
Masa molowa226.55 g/mol
IUPAC2-fluoro-3-(trifluoromethyl)benzoyl chloride
SMILESC1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)Cl
InChIKeyRIKGRFSGIOOYEK-UHFFFAOYSA-N
logP (XLogP3)3.4
PSA17.1 Ų
HBD / HBA0 / 5
PubChem CIDCID 2737559 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Scientific literature

Related literature

4 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (4 articles)

1970: 1 articles19701973: 2 articles19732024: 1 articles2024

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
2-Fluoro-3-(trifluoromethyl)benzoyl chloride · 208173-19-7 · RefChem:87053 · DTXCID30323173 · 632-655-9 · RIKGRFSGIOOYEK-UHFFFAOYSA-N · 2-fluoro-3-trifluoromethylbenzoyl chloride · MFCD00061154 · Benzoyl chloride, 2-fluoro-3-(trifluoromethyl)- · 2-fluoro-3-(trifluoromethyl)benzoylchloride · 2-fluoro-3(trifluoromethyl)benzoyl chloride · 2-fluoro-3-trifluoromethyl-benzoyl chloride · 2-fluoro-3-(trifluoromethyl)-benzoyl chloride · alpha,alpha,alpha,2-Tetrafluoro-m-toluoyl Chloride · SCHEMBL283643
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
2-Fluoro-3-(trifluoromethyl)benzoyl chloride — CAS 208173-19-7

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
2-Fluoro-3-(trifluoromethyl)benzoyl chloride (CAS 208173-19-7) — License & Provenance

Source:
2-Fluoro-3-(trifluoromethyl)benzoyl chloride (CAS 208173-19-7) — MolGod molecule record

Source data: PubChem CID 2737559

STL: Download 3D model (345 KB)

SHA-256: ee1443a89cc956847557cea3f6c91fd7313fd51a9113c846b935a343dd3181b0

Wikimedia Commons: not published yet

Source data: PubChem CID 2737559

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