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

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

Full record: 1-(3,4-Difluorophenyl)ethan-1-one — Safety Data Sheet →

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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

Model views

  • 1-(3,4-Difluorophenyl)ethan-1-one (CAS 369-33-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 1-(3,4-Difluorophenyl)ethan-1-one (CAS 369-33-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 1-(3,4-Difluorophenyl)ethan-1-one (CAS 369-33-5) – 2D structure, MolGod Viewer
    2D structure

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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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC8H6F2O
Molar mass156.13 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 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 369-33-5 w PubMed / OpenAlex / Semantic Scholar.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
1-(3,4-Difluorophenyl)ethan-1-one · 369-33-5
InChIKey
VWJSSJFLXRMYNV-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1-(3,4-Difluorophenyl)ethan-1-one (CAS 369-33-5)
License & provenance record
1-(3,4-Difluorophenyl)ethan-1-one (CAS 369-33-5) →
MolGod molecule record
1-(3,4-Difluorophenyl)ethan-1-one →
Source data
PubChem CID 123052 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
39aaa04c0e711eea7c86609bdfa196f5512f5cdfa31481ca8a5ea3c13e6945da
MD5 (STL)
4b468eaf4ed6df614c8f5b0d531fd07b
MolGod Identification Number
MG_763-116-953-74
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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