1-(3,4-Difluorophenyl)ethan-1-one

CAS 369-33-5  ·  C8H6F2O  ·  MW 156.13 g/mol

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3D model 1-(3,4-Difluorophenyl)ethan-1-one, CAS 369-33-5, molecular formula C8H6F2O, molar mass 156.13 g/mol
About 1-(3,4-Difluorophenyl)ethan-1-one

1-(3,4-Difluorophenyl)ethan-1-one is a chemical compound registered under number CAS 369-33-5, with the molecular formula C8H6F2O, and a molar mass of 156.13 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 1-(3,4-difluorophenyl)ethanone. 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 = 2 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Ų, 0 donors and 3 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 formulaC8H6F2O
Masa molowa156.13 g/mol
IUPAC1-(3,4-difluorophenyl)ethanone
SMILESCC(=O)C1=CC(=C(C=C1)F)F
InChIKeyVWJSSJFLXRMYNV-UHFFFAOYSA-N
logP (XLogP3)2
PSA17.1 Ų
HBD / HBA0 / 3
PubChem CIDCID 123052 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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

📈 Publication timeline (20 articles)

1961: 1 articles19611979: 1 articles1984: 1 articles1986: 1 articles1998: 2 articles2007: 1 articles2010: 1 articles20102014: 1 articles2018: 1 articles2019: 3 articles2020: 1 articles2025: 1 articles2025

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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.

Data sources
Related molecules
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Model
1-(3,4-Difluorophenyl)ethan-1-one · 369-33-5
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CC BY 4.0 International (source rights undetermined — not yet granted)
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MolGod Scientific
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Source data
PubChem CID 123052 ↗
SHA-256 (STL)
c385013cd4cade292e8f2c2cfa46925b8b89c71068c7a41ae78d01526f58f2e0
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