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Details

Stereochemistry ACHIRAL
Molecular Formula C11H5ClF6O
Molecular Weight 302.6
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone

SMILES

FC(F)(F)C(=CC(=O)C1=CC=C(Cl)C=C1)C(F)(F)F

InChI

InChIKey=AGWQEAPKCXRCEE-UHFFFAOYSA-N
InChI=1S/C11H5ClF6O/c12-7-3-1-6(2-4-7)8(19)5-9(10(13,14)15)11(16,17)18/h1-5H

HIDE SMILES / InChI

Molecular Formula C11H5ClF6O
Molecular Weight 302.6
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:35:04 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:04 GMT 2025
Record UNII
WND2FEP63P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-160231
Preferred Name English
4'-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone
Systematic Name English
1-(4-Chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
Systematic Name English
1-(p-Chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
Systematic Name English
2-Buten-1-one, 1-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
WND2FEP63P
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
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PUBCHEM
37139
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
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CAS
35443-99-3
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
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NSC
160231
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
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EPA CompTox
DTXSID40188937
Created by admin on Tue Apr 01 19:35:04 GMT 2025 , Edited by admin on Tue Apr 01 19:35:04 GMT 2025
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