tert-butyl 3-{[(3-fluorophenyl)methyl]amino}pyrrolidine-1-carboxylate

tert-butyl 3-{[(3-fluorophenyl)methyl]amino}pyrrolidine-1-carboxylate

CAS: 887578-67-8

Formula: C16H23FN2O2

SMILES: CC(C)(C)OC(=O)N1CCC(C1)NCC1=CC(F)=CC=C1

IUPAC: tert-butyl 3-{[(3-fluorophenyl)methyl]amino}pyrrolidine-1-carboxylate

InChI: InChI=1/C16H23FN2O2/c1-16(2,3)21-15(20)19-8-7-14(11-19)18-10-12-5-4-6-13(17)9-12/h4-6,9,14,18H,7-8,10-11H2,1-3H3

Composition: C (65.28%), H (7.88%), F (6.45%), N (9.52%), O (10.87%)

Molar Mass: 294.37

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	294.174356152
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KXNBOTFAXPBDBA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.81
Topological Polar Surface Area	41.57
Polarizability	31.11
Ring Count	2
Rotatable Bond Count	5

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