Ethyl fluoroacetate

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

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3D model Ethyl fluoroacetate, CAS 459-72-3, molecular formula C4H7FO2, molar mass 106.10 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC4H7FO2
Masa molowa106.10 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 — Łatwopalna ciecz i pary

H300 — Połknięcie grozi śmiercią

Scientific literature

Related literature

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

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

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

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
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License & Provenance

MolGod 3D molecular model
Ethyl fluoroacetate — CAS 459-72-3

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

MolGod License & Provenance Record:
Ethyl fluoroacetate (CAS 459-72-3) — License & Provenance

Source:
Ethyl fluoroacetate (CAS 459-72-3) — MolGod molecule record

Source data: PubChem CID 9988

STL: Download 3D model (280 KB)

SHA-256: 729a9d4dbf323318c36874db1ec0f68f4206c8d069c22c8a14739d2a311d66eb

Wikimedia Commons: not published yet

Source data: PubChem CID 9988

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.