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Details

Stereochemistry RACEMIC
Molecular Formula C10H8F3NO
Molecular Weight 215.1718
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methoxyphenyl(trifluoromethyl)acetonitrile

SMILES

COC(C#N)(C1=CC=CC=C1)C(F)(F)F

InChI

InChIKey=UBOJBAYKXZRZHI-UHFFFAOYSA-N
InChI=1S/C10H8F3NO/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C10H8F3NO
Molecular Weight 215.1718
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:19:52 GMT 2025
Edited
by admin
on Wed Apr 02 09:19:52 GMT 2025
Record UNII
TH9LTL6EPR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methoxyphenyl(trifluoromethyl)acetonitrile
Systematic Name English
?-Methoxy-?-(trifluoromethyl)benzeneacetonitrile
Preferred Name English
Benzeneacetonitrile, ?-methoxy-?-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
80866-87-1
Created by admin on Wed Apr 02 09:19:52 GMT 2025 , Edited by admin on Wed Apr 02 09:19:52 GMT 2025
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FDA UNII
TH9LTL6EPR
Created by admin on Wed Apr 02 09:19:52 GMT 2025 , Edited by admin on Wed Apr 02 09:19:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID001001598
Created by admin on Wed Apr 02 09:19:52 GMT 2025 , Edited by admin on Wed Apr 02 09:19:52 GMT 2025
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PUBCHEM
589652
Created by admin on Wed Apr 02 09:19:52 GMT 2025 , Edited by admin on Wed Apr 02 09:19:52 GMT 2025
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