tert-butyl 3-[(2-fluorophenyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(2-fluorophenyl)amino]pyrrolidine-1-carboxylate

CAS: 887578-54-3

Formula: C15H21FN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(C1)NC1=C(F)C=CC=C1

IUPAC: tert-butyl 3-[(2-fluorophenyl)amino]pyrrolidine-1-carboxylate

InChI: InChI=1/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-11(10-18)17-13-7-5-4-6-12(13)16/h4-7,11,17H,8-10H2,1-3H3

Composition: C (64.27%), H (7.55%), F (6.78%), N (9.99%), O (11.41%)

Molar Mass: 280.343

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	280.158706087
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QENOUBKGFJADLG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.75
Topological Polar Surface Area	41.57
Polarizability	28.9
Ring Count	2
Rotatable Bond Count	4

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