tert-butyl (3S,5R)-3-hydroxy-5-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

tert-butyl (3S,5R)-3-hydroxy-5-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

CAS: 2331211-40-4

Formula: C12H19F3N2O4

SMILES: CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C1)NC(=O)C(F)(F)F

IUPAC: tert-butyl (3S,5R)-3-hydroxy-5-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate

InChI: InChI=1S/C12H19F3N2O4/c1-11(2,3)21-10(20)17-5-7(4-8(18)6-17)16-9(19)12(13,14)15/h7-8,18H,4-6H2,1-3H3,(H,16,19)/t7-,8+/m1/s1

Composition: C (46.15%), H (6.13%), F (18.25%), N (8.97%), O (20.49%)

Molar Mass: 312.289

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	312.129691589
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QZFGWTPGUUQXAC-SFYZADRCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.62
Topological Polar Surface Area	78.87
Polarizability	25.49
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	2331211-40-4		$243.80-$7,912.00$243.80$373.75$631.35$1,147.70$2,162.00$7,912.00