16-Fluoroestradiol
[CAS# 84693-92-5]

Identification

• Name: 16-Fluoroestradiol
• Synonyms: 16-Fluoroestradiol; 16Alpha-(18)-Fluoro-17Beta-Estradiol; 16Alpha-Fluoroestradiol
• Molecular Formula: C₁₈H₂₃FO₂
• Molecular Weight: 290.38
• CAS Registry Number: 84693-92-5
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(O)C=C1CC2)CC[C@@]3([C@@H](O)[C@@H](F)C4)C
• InChI: 1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1
• InChIKey: KDLLNMRYZGUVMA-ZMSHIADSSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 453.58°C at 760 mmHg (Cal.)
• Flash point: 228.117°C (Cal.)