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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16F3NO2
Molecular Weight 287.2775
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[8-(trifluoromethyl)-4,10-dioxatricyclo[7.3.0.0{3,7}]dodeca-1(9),2,7-trien-2-yl]propan-2-amine, (2S)-

SMILES

C[C@H](N)CC1=C2CCOC2=C(C3=C1OCC3)C(F)(F)F

InChI

InChIKey=KMWGSFWAZUVTCM-ZETCQYMHSA-N
InChI=1S/C14H16F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h7H,2-6,18H2,1H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H16F3NO2
Molecular Weight 287.2775
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 15:20:33 GMT 2025
Edited
by admin
on Wed Apr 02 15:20:33 GMT 2025
Record UNII
4XXU75HCC9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-1-[8-(trifluoromethyl)-4,10-dioxatricyclo[7.3.0.0{3,7}]dodeca-1(9),2,7-trien-2-yl]propan-2-amine
Preferred Name English
1-[8-(trifluoromethyl)-4,10-dioxatricyclo[7.3.0.0{3,7}]dodeca-1(9),2,7-trien-2-yl]propan-2-amine, (2S)-
Common Name English
Benzo[1,2-b:4,5-b?]difuran-4-ethanamine, 2,3,5,6-tetrahydro-?-methyl-8-(trifluoromethyl)-, (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10543931
Created by admin on Wed Apr 02 15:20:33 GMT 2025 , Edited by admin on Wed Apr 02 15:20:33 GMT 2025
PRIMARY
CAS
733730-70-6
Created by admin on Wed Apr 02 15:20:33 GMT 2025 , Edited by admin on Wed Apr 02 15:20:33 GMT 2025
PRIMARY
FDA UNII
4XXU75HCC9
Created by admin on Wed Apr 02 15:20:33 GMT 2025 , Edited by admin on Wed Apr 02 15:20:33 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER