tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate

tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate

CAS: 1009075-48-2

Formula: C9H17FN2O2

SMILES: CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](F)C1

IUPAC: tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate

InChI: InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7+/m0/s1

Composition: C (52.93%), H (8.39%), F (9.30%), N (13.72%), O (15.67%)

Molar Mass: 204.245

Atom Count: 31

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	204.127405958
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DXQXHFOCKKIWJL-NKWVEPMBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.61
Topological Polar Surface Area	55.56
Polarizability	19.78
Ring Count	1
Rotatable Bond Count	2

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