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

Details

Stereochemistry RACEMIC
Molecular Formula C16H11F3O
Molecular Weight 276.2531
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIRKLE'S ALCOHOL

SMILES

OC(C1=C2C=CC=CC2=CC3=CC=CC=C13)C(F)(F)F

InChI

InChIKey=ICZHJFWIOPYQCA-UHFFFAOYSA-N
InChI=1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H

HIDE SMILES / InChI

Molecular Formula C16H11F3O
Molecular Weight 276.2531
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
5K227FG858
Record Status Validated (UNII)
Record Version