4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one is a chemical compound registered under number CAS 17129-06-5, with the molecular formula C₆H₇F₃O₂, and a molar mass of 168.11 g/mol.

The molecule contains 18 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 4-ethoxy-1,1,1-trifluorobut-3-en-2-one. 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 = 1.6 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 5 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.

Molecular formula	C6H7F3O2
Masa molowa	168.11 g/mol
IUPAC	4-ethoxy-1,1,1-trifluorobut-3-en-2-one
SMILES	CCOC=CC(=O)C(F)(F)F
InChIKey	YKYIFUROKBDHCY-UHFFFAOYSA-N
logP (XLogP3)	1.6
PSA	26.3 Ų
HBD / HBA	0 / 5
PubChem CID	CID 2780395 ↗

Signal word: Danger

H226 — Łatwopalna ciecz i pary

17129-06-5 · 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one · RefChem:522575 · DTXCID301073271 · 629-004-6 · 4-ethoxy-1,1,1-trifluorobut-3-en-2-one · 3-BUTEN-2-ONE, 4-ETHOXY-1,1,1-TRIFLUORO- · MFCD00192131 · 4-ethoxy-1,1,1-trifluoro-but-3-en-2-one · (3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one · SCHEMBL22026 · 4-Ethoxy-1,1,1-Trifluoro-3-Buten-2-One, Stab. · 4-ethoxy-trifluoro-but-3-en-2-one · AB04641 · SB11842

• 📊 PubChem CID 2780395 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność