tert-butyl (1S,5S)-3-(trifluoromethanesulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

tert-butyl (1S,5S)-3-(trifluoromethanesulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

CAS: 185099-68-7

Formula: C13H18F3NO5S

SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1C=C(C2)OS(=O)(=O)C(F)(F)F

IUPAC: tert-butyl (1S,5S)-3-(trifluoromethanesulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

InChI: InChI=1S/C13H18F3NO5S/c1-12(2,3)21-11(18)17-8-4-5-9(17)7-10(6-8)22-23(19,20)13(14,15)16/h6,8-9H,4-5,7H2,1-3H3/t8-,9+/m0/s1

Composition: C (43.70%), H (5.08%), F (15.95%), N (3.92%), O (22.39%), S (8.97%)

Molar Mass: 357.34

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	357.085778347
Formal Charge	0
FSP3	0.77
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CJDKVEWDWXIBSM-IUCAKERBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.88
Topological Polar Surface Area	72.91
Polarizability	29.41
Ring Count	2
Rotatable Bond Count	5

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95%	<5 Days	185099-68-7		$760.00-$2,293.00$760.00$2,293.00