(3R,7S,8aR)-7-Fluoro-3-(Phenylmethyl)-2,3,6,7,8,8a-Hexahydropyrrolo[2,1-f]Pyrazine-1,4-Dione
[CAS# 131176-01-7]

Identification

• Name: (3R,7S,8aR)-7-Fluoro-3-(Phenylmethyl)-2,3,6,7,8,8a-Hexahydropyrrolo[2,1-f]Pyrazine-1,4-Dione
• Synonyms: (3R,7S,8Ar)-3-(Benzyl)-7-Fluoro-2,3,6,7,8,8A-Hexahydropyrrolo[2,1-F]Pyrazine-1,4-Quinone; Cyclo(Phenylalanyl-4-Fluoro-Prolyl); Cylco(Phe-4-F-Pro)
• Molecular Formula: C₁₄H₁₅FN₂O₂
• Molecular Weight: 262.28
• CAS Registry Number: 131176-01-7
• SMILES: [C@@H]12C(N[C@@H](C(N1C[C@H](C2)F)=O)CC3=CC=CC=C3)=O
• InChI: 1S/C14H15FN2O2/c15-10-7-12-13(18)16-11(14(19)17(12)8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,16,18)/t10-,11+,12+/m0/s1
• InChIKey: GBONPFZXBBXCLT-QJPTWQEYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 518.415°C at 760 mmHg (Cal.)
• Flash point: 267.328°C (Cal.)