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tert-butyl (5S)-3-hydroxy-5-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl (5S)-3-hydroxy-5-(trifluoromethyl)piperidine-1-carboxylate

CAS: 1932826-58-8

Formula: C11H18F3NO3

SMILES: CC(C)(C)OC(=O)N1CC(O)C[C@@H](C1)C(F)(F)F

IUPAC: tert-butyl (5S)-3-hydroxy-5-(trifluoromethyl)piperidine-1-carboxylate

InChI: InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(17)15-5-7(11(12,13)14)4-8(16)6-15/h7-8,16H,4-6H2,1-3H3/t7-,8?/m0/s1

Composition: C (49.07%), H (6.74%), F (21.17%), N (5.20%), O (17.83%)

Molar Mass: 269.264

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 269.123877933
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AAVVGFKIMWXYCG-JAMMHHFISA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.44
Topological Polar Surface Area 49.77
Polarizability 22.32
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1932826-58-8 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00
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