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Chemical structure of XLR11 N-(3-fluoropentyl) isomer

GC45169

XLR11 N-(3-fluoropentyl) isomer

Also known as [1-(3-fluoropentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

XLR11 N-(3-fluoropentyl) isomer is an analytical reference standard that is structurally categorized as a synthetic cannabinoid

ChemicalCAS1628690-24-3MW329.5FormulaC21H28FNO
CAS number
1628690-24-3
Molecular weight
329.5
Formula
C21H28FNO
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS (pH 7·2) (1：4)： 0·2 mg/ml,Methanol：PBS (pH 7·2) (1：4)： 0·2 mg/ml
InChIKey
FAFWRNLRDMHCOR-UHFFFAOYSA-N
Catalogue number
GC45169
Brand
GLPBIO
Computed properties PubChem CID 90464179 · XLogP 5.4 · TPSA 22 Ų · H-bond donors 0
XLogP
5.4
TPSA
22 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
24

SMILES CCC(CCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C)F

Computed descriptors from PubChem (CID 90464179), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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