4-ethoxy-1,1,1-trifluoro-3-buten-2-one (Q22668720)

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chemical compound

• ETFBO
• (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
• (3E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one
• trans-4-Ethoxy-1,1,1-trifluoro-3-butene-2-one

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Language	Label	Description	Also known as
English	4-ethoxy-1,1,1-trifluoro-3-buten-2-one	chemical compound	ETFBO (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (3E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one trans-4-Ethoxy-1,1,1-trifluoro-3-butene-2-one

Statements

instance of

type of chemical entity

0 references

subclass of

4-ethoxy-1,1,1-trifluorobut-3-en-2-one

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chemical structure

ETFBO.svg
451 × 151; 8 KB

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mass

168.039814124 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆H₇F₃O₂

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canonical SMILES

O=C(C=COCC)C(F)(F)F

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isomeric SMILES

CCO/C=C/C(=O)C(F)(F)F

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C(/C=C/OCC)(C(F)(F)F)=O

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Identifiers

InChI

InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+

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InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

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CAS Registry Number

17129-06-5

reason for deprecated rank

applies to other chemical entity

intended subject of deprecated statement

4-ethoxy-1,1,1-trifluorobut-3-en-2-one

0 references

59938-06-6

1 reference

stated in

CAS Common Chemistry

retrieved

31 December 2022

reference URL

https://commonchemistry.cas.org/detail?cas_rn=59938-06-6

InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

based on heuristic

InChIKey match

ChemSpider ID

4647804

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PubChem CID

5709222

1 reference

imported from Wikimedia project

German Wikipedia

SureChEMBL ID

SCHEMBL22026

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

SCHEMBL71609

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

UniChem compound ID

17466698

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID70420776

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DSSTOX compound identifier

DTXCID60371622

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EC number

858-371-7

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ECHA Substance Infocard ID

100.309.493

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Google Knowledge Graph ID

/g/11bxdt54gs

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Sitelinks

Wikipedia(1 entry)

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• dewiki 4-Ethoxy-1,1,1-trifluor-3-buten-2-on

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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