1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H19F3OS
Molecular Weight	256.328
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE

Structure Search

SMILES

CCCCCCCCSCC(=O)C(F)(F)F

InChI

InChIKey=WMQHRXUKAYSPPK-UHFFFAOYSA-N

InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE

Systematic Name

English

2-PROPANONE, 1,1,1-TRIFLUORO-3-(OCTYLTHIO)-

Preferred Name

English

3-OCTYLTHIO-1,1,1-TRIFLUORO-2-PROPANONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40237914

Created by admin on Tue Apr 01 16:28:00 GMT 2025 , Edited by admin on Tue Apr 01 16:28:00 GMT 2025

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PUBCHEM

146089

Created by admin on Tue Apr 01 16:28:00 GMT 2025 , Edited by admin on Tue Apr 01 16:28:00 GMT 2025

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DRUG BANK

DB08612

Created by admin on Tue Apr 01 16:28:00 GMT 2025 , Edited by admin on Tue Apr 01 16:28:00 GMT 2025

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CAS

89820-00-8

Created by admin on Tue Apr 01 16:28:00 GMT 2025 , Edited by admin on Tue Apr 01 16:28:00 GMT 2025

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FDA UNII

7OYG5MD7P9

Created by admin on Tue Apr 01 16:28:00 GMT 2025 , Edited by admin on Tue Apr 01 16:28:00 GMT 2025

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SUBSTANCE RECORD


					7OYG5MD7P9

1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE