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Details

Stereochemistry EPIMERIC
Molecular Formula C17H20F2O4
Molecular Weight 326.3351
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TF-Diol

SMILES

[H][C@]12C[C@@H](O)[C@H](\C=C\C(F)(F)COC3=CC=CC=C3)[C@@]1([H])CC(O)O2

InChI

InChIKey=LYAPMSDBPDQSPZ-JYJMZDKHSA-N
InChI=1S/C17H20F2O4/c18-17(19,10-22-11-4-2-1-3-5-11)7-6-12-13-8-16(21)23-15(13)9-14(12)20/h1-7,12-16,20-21H,8-10H2/b7-6+/t12-,13-,14-,15+,16?/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H20F2O4
Molecular Weight 326.3351
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:12 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:12 GMT 2023
Record UNII
8GRZ939Y85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TF-Diol
Common Name English
2H-Cyclopenta[b]furan-2,5-diol, 4-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]hexahydro-, (3aR,4R,5R,6aS)-
Systematic Name English
(3aR,4R,5R,6aS)-4-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]hexahydro-2H-cyclopenta[b]furan-2,5-diol
Systematic Name English
Code System Code Type Description
FDA UNII
8GRZ939Y85
Created by admin on Sat Dec 16 19:53:12 GMT 2023 , Edited by admin on Sat Dec 16 19:53:12 GMT 2023
PRIMARY
CAS
209861-02-9
Created by admin on Sat Dec 16 19:53:12 GMT 2023 , Edited by admin on Sat Dec 16 19:53:12 GMT 2023
PRIMARY
PUBCHEM
15479274
Created by admin on Sat Dec 16 19:53:12 GMT 2023 , Edited by admin on Sat Dec 16 19:53:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY