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

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

CAS: 1260764-67-7

Formula: C11H19F3N2O2

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

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

InChI: InChI=1/C11H19F3N2O2/c1-9(2,3)18-8(17)16-5-7(11(12,13)14)10(4,15)6-16/h7H,5-6,15H2,1-4H3

Composition: C (49.25%), H (7.14%), F (21.24%), N (10.44%), O (11.93%)

Molar Mass: 268.28

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 268.139862349
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GPPSLMHYVAPNFI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.99
Topological Polar Surface Area 55.56
Polarizability 23.12
Ring Count 1
Rotatable Bond Count 3

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