CAS Registry Number: 479253-00-4

Name:

1-​Pyrrolidinecarboxyli​c acid, 3-​fluoro-​, 1,​1-​dimethylethyl ester, (3S)​-
(3S)​-​3-​Fluoropyrrolidine-​1-​carboxylic acid tert-​butyl ester; (3S)​-​Fluoropyrrolidine-​1-​carboxylic acid tert-​butyl ester; tert-​Butyl (3S)​-​3-​fluoropyrrolidine-​1-​carboxylate 

Chemical Formula: C9H16FNO2
Exact Mass: 189.12
Molecular Weight: 189.23
m/z: 189.12 (100.0%), 190.12 (10.0%)
Elemental Analysis: C, 57.13; H, 8.52; F, 10.04; N, 7.40; O, 16.91

InChI: InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey: SUECTKVSIDXQQE-ZETCQYMHSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC(C1)F
Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C1)F

Specification

98%

PCT Int. Appl. (2011), WO 2011145718 A1 20111124.

PCT Int. Appl. (2006), WO 2006040625 A1 20060420.