1-Ethynyl-2-fluorobenzene

CAS 766-49-4  ·  C8H5F  ·  MW 120.12 g/mol

Full record: 1-Ethynyl-2-fluorobenzene — Safety Data Sheet →

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3D model 1-Ethynyl-2-fluorobenzene, CAS 766-49-4, molecular formula C8H5F, molar mass 120.12 g/mol

Model views

  • 1-Ethynyl-2-fluorobenzene (CAS 766-49-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 1-Ethynyl-2-fluorobenzene (CAS 766-49-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 1-Ethynyl-2-fluorobenzene (CAS 766-49-4) – 2D structure, MolGod Viewer
    2D structure

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About 1-Ethynyl-2-fluorobenzene

1-Ethynyl-2-fluorobenzene is a chemical compound registered under number CAS 766-49-4, with the molecular formula C8H5F, and a molar mass of 120.12 g/mol.

The molecule contains 14 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 1-ethynyl-2-fluorobenzene. 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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 1 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 formulaC8H5F
Molar mass120.12 g/mol
IUPAC1-ethynyl-2-fluorobenzene
SMILESC#CC1=CC=CC=C1F
InChIKeyYFPQIXUNBPQKQR-UHFFFAOYSA-N
logP (XLogP3)2.3
PSA0 Ų
HBD / HBA0 / 1
PubChem CIDCID 643358 ↗
GHS safety

Signal word: Warning

GHS02
GHS02
GHS07
GHS07

H226 — Flammable liquid and vapour

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 766-49-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
1-ethynyl-2-fluorobenzene · 766-49-4 · benzene, 1-ethynyl-2-fluoro- · RefChem:432687 · DTXCID301424925 · 626-528-7 · 2-Fluorophenylacetylene · 1-ethynyl-2-fluoro-benzene · 2'-fluorophenyl acetylene · 2-fluorophenylethyne · 2'-fluorophenylacetylene · MFCD00799540 · 2-fluoro-phenylacetylene · SCHEMBL114436 · PS-9228
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
1-Ethynyl-2-fluorobenzene · 766-49-4
InChIKey
YFPQIXUNBPQKQR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1-Ethynyl-2-fluorobenzene (CAS 766-49-4)
License & provenance record
1-Ethynyl-2-fluorobenzene (CAS 766-49-4) →
MolGod molecule record
1-Ethynyl-2-fluorobenzene →
Source data
PubChem CID 643358 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
ea6ee84c56be8788429c750644dac7216a8c997e89089450e89b50212fd000f9
MD5 (STL)
fe5034a93b566191d6dd034fa4c32fcb
MolGod Identification Number
MG_308-551-428-33
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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