tert-butyl 2-(2,2,2-trifluoroacetamido)-7-azabicyclo[2.2.1]heptane-7-carboxylate

tert-butyl 2-(2,2,2-trifluoroacetamido)-7-azabicyclo[2.2.1]heptane-7-carboxylate

CAS: 2468620-77-9

Formula: C13H19F3N2O3

SMILES: CC(C)(C)OC(=O)N1C2CCC1C(C2)NC(=O)C(F)(F)F

IUPAC: tert-butyl 2-(2,2,2-trifluoroacetamido)-7-azabicyclo[2.2.1]heptane-7-carboxylate

InChI: InChI=1/C13H19F3N2O3/c1-12(2,3)21-11(20)18-7-4-5-9(18)8(6-7)17-10(19)13(14,15)16/h7-9H,4-6H2,1-3H3,(H,17,19)

Composition: C (50.65%), H (6.21%), F (18.49%), N (9.09%), O (15.57%)

Molar Mass: 308.301

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	308.134776969
Formal Charge	0
FSP3	0.85
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OSEBHMPQLPAGFK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.54
Topological Polar Surface Area	58.64
Polarizability	25.87
Ring Count	2
Rotatable Bond Count	4

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