tert-butyl 4-(aminomethyl)-3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 4-(aminomethyl)-3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS: 1260751-47-0

Formula: C12H21F3N2O2

SMILES: CC(C)(C)OC(=O)N1CC(CN)C(C)(C1)C(F)(F)F

IUPAC: tert-butyl 4-(aminomethyl)-3-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C12H21F3N2O2/c1-10(2,3)19-9(18)17-6-8(5-16)11(4,7-17)12(13,14)15/h8H,5-7,16H2,1-4H3

Composition: C (51.06%), H (7.50%), F (20.19%), N (9.92%), O (11.33%)

Molar Mass: 282.307

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	282.155512413
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DRBPWTVZJTZWFG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.99
Topological Polar Surface Area	55.56
Polarizability	24.92
Ring Count	1
Rotatable Bond Count	4

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