Ethyl fluoroacetate

CAS 459-72-3  ·  C4H7FO2  ·  MW 106.10 g/mol

Full record: Ethyl fluoroacetate — Safety Data Sheet →

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3D model Ethyl fluoroacetate, CAS 459-72-3, molecular formula C4H7FO2, molar mass 106.10 g/mol

Model views

  • Ethyl fluoroacetate (CAS 459-72-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Ethyl fluoroacetate (CAS 459-72-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Ethyl fluoroacetate (CAS 459-72-3) – 2D structure, MolGod Viewer
    2D structure

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Ethyl fluoroacetate (CAS 459-72-3), C4H7FO2 - 3D ball-and-stick molecular model, engraved element symbols (C H F O), MolGod STL previewDownload image

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About Ethyl fluoroacetate

Ethyl fluoroacetate is a chemical compound registered under number CAS 459-72-3, with the molecular formula C4H7FO2, and a molar mass of 106.10 g/mol.

The molecule contains 14 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is ethyl 2-fluoroacetate. 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 = 0.9 (positive value, a lipophilic compound), polar surface area PSA = 26.3 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 formulaC4H7FO2
Molar mass106.10 g/mol
IUPACethyl 2-fluoroacetate
SMILESCCOC(=O)CF
InChIKeyVCYZVXRKYPKDQB-UHFFFAOYSA-N
logP (XLogP3)0.9
PSA26.3 Ų
HBD / HBA0 / 3
PubChem CIDCID 9988 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS06
GHS06

H226 — Flammable liquid and vapour

H300 — Fatal if swallowed

Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

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

Synonyms
ETHYL FLUOROACETATE · 459-72-3 · ethyl 2-fluoroacetate · Ethyl monofluoroacetate · Acetic acid, fluoro-, ethyl ester · Fluoroacetic Acid Ethyl Ester · Monofluoroacetic acid ethyl ester · Ethylester kyseliny fluoroctove · HSDB 2846 · AUS1L6UM7B · EINECS 207-297-8 · NSC 133459 · Ethylester kyseliny fluoroctove [Czech] · BRN 1743761 · NSC-133459
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Ethyl fluoroacetate · 459-72-3
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Ethyl fluoroacetate (CAS 459-72-3)
License & provenance record
Ethyl fluoroacetate (CAS 459-72-3) →
MolGod molecule record
Ethyl fluoroacetate →
Source data
PubChem CID 9988 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
11961a00dd1a12db9c2841143a78bb828e6c4c8ba525498497a9c889d1db0692
MD5 (STL)
e8be67a1eac6384744abee8dcb5474f5
MolGod Identification Number
MG_287-603-924-28
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
Free printable molecule model
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