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tert-butyl (2R,4S)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate

tert-butyl (2R,4S)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate

CAS: 1627972-84-2

Formula: C10H19FN2O2

SMILES: CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1CN

IUPAC: tert-butyl (2R,4S)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate

InChI: InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1

Composition: C (55.03%), H (8.77%), F (8.70%), N (12.83%), O (14.66%)

Molar Mass: 218.272

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 218.143056023
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DADYKTRZKFJROI-JGVFFNPUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.48
Topological Polar Surface Area 55.56
Polarizability 21.61
Ring Count 1
Rotatable Bond Count 3

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