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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19F6NO2
Molecular Weight 419.3608
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine, (2R,3S)-

SMILES

C[C@@H](O[C@H]1OCCN[C@H]1C2=CC=CC=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=UTDANMPTVJPQFZ-OCBCSQNSSA-N
InChI=1S/C20H19F6NO2/c1-12(14-9-15(19(21,22)23)11-16(10-14)20(24,25)26)29-18-17(27-7-8-28-18)13-5-3-2-4-6-13/h2-6,9-12,17-18,27H,7-8H2,1H3/t12-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H19F6NO2
Molecular Weight 419.3608
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:56:42 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:42 GMT 2025
Record UNII
NAJ5853ECR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine
Preferred Name English
2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine, (2R,3S)-
Systematic Name English
Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-, (2R,3S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50442931
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY
PUBCHEM
10645742
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY
CAS
171338-33-3
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY
FDA UNII
NAJ5853ECR
Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025
PRIMARY