U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19F6NO3
Molecular Weight 447.3709
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone

SMILES

C[C@H](O[C@H]1OCCN(CC2=CC=CC=C2)C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=KVPJNHLVRGUYGQ-ORAYPTAESA-N
InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H19F6NO3
Molecular Weight 447.3709
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:48:50 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:50 GMT 2025
Record UNII
2T8DEP7KY8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone
Systematic Name English
3-Morpholinone, 2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2R)-
Preferred Name English
Code System Code Type Description
FDA UNII
2T8DEP7KY8
Created by admin on Wed Apr 02 19:48:50 GMT 2025 , Edited by admin on Wed Apr 02 19:48:50 GMT 2025
PRIMARY
PUBCHEM
124602476
Created by admin on Wed Apr 02 19:48:50 GMT 2025 , Edited by admin on Wed Apr 02 19:48:50 GMT 2025
PRIMARY
CAS
327623-35-8
Created by admin on Wed Apr 02 19:48:50 GMT 2025 , Edited by admin on Wed Apr 02 19:48:50 GMT 2025
PRIMARY