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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=C2OCCC2=C(C3=C1CCO3)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 Sat Dec 16 19:21:34 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:34 GMT 2023
Record UNII
4XXU75HCC9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
(2S)-1-[8-(trifluoromethyl)-4,10-dioxatricyclo[7.3.0.0{3,7}]dodeca-1(9),2,7-trien-2-yl]propan-2-amine
Systematic Name English
Benzo[1,2-b:4,5-b′]difuran-4-ethanamine, 2,3,5,6-tetrahydro-α-methyl-8-(trifluoromethyl)-, (αS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10543931
Created by admin on Sat Dec 16 19:21:34 GMT 2023 , Edited by admin on Sat Dec 16 19:21:34 GMT 2023
PRIMARY
CAS
733730-70-6
Created by admin on Sat Dec 16 19:21:34 GMT 2023 , Edited by admin on Sat Dec 16 19:21:34 GMT 2023
PRIMARY
FDA UNII
4XXU75HCC9
Created by admin on Sat Dec 16 19:21:34 GMT 2023 , Edited by admin on Sat Dec 16 19:21:34 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER