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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14F3NO2
Molecular Weight 261.2403
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate, (R)-

SMILES

CCOC(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F

InChI

InChIKey=SCAQGFRAYMMTNM-MRVPVSSYSA-N
InChI=1S/C12H14F3NO2/c1-2-18-12(17)5-8(16)3-7-4-10(14)11(15)6-9(7)13/h4,6,8H,2-3,5,16H2,1H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H14F3NO2
Molecular Weight 261.2403
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:50 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:50 GMT 2025
Record UNII
VR8FW4955S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R)-Ethyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate
Preferred Name English
Ethyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate, (R)-
Systematic Name English
Ethyl (?R)-?-amino-2,4,5-trifluorobenzenebutanoate
Systematic Name English
Benzenebutanoic acid, ?-amino-2,4,5-trifluoro-, ethyl ester, (?R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
67105981
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY
CAS
1151240-91-3
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY
FDA UNII
VR8FW4955S
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY