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tert-butyl (3S)-3-[(tert-butoxycarbonyl)amino]-4,4-difluoropiperidine-1-carboxylate

tert-butyl (3S)-3-[(tert-butoxycarbonyl)amino]-4,4-difluoropiperidine-1-carboxylate

Formula: C15H26F2N2O4

SMILES: CC(C)(C)OC(=O)N[C@H]1CN(CCC1(F)F)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4,4-difluoropiperidine-1-carboxylate

InChI: InChI=1S/C15H26F2N2O4/c1-13(2,3)22-11(20)18-10-9-19(8-7-15(10,16)17)12(21)23-14(4,5)6/h10H,7-9H2,1-6H3,(H,18,20)/t10-/m0/s1

Composition: C (53.56%), H (7.79%), F (11.30%), N (8.33%), O (19.02%)

Molar Mass: 336.38

Atom Count: 49

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 336.186063651
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SDWIDQJTTNIZPY-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.33
Topological Polar Surface Area 67.87
Polarizability 31.07
Ring Count 1
Rotatable Bond Count 5

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Purity (%)
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Days
Packet Size
Shanghai AQ BioPharma Co., Ltd.
Purity LeadTime Formula UnitPrice
97% <8 Days C15H26F2N2O4 Quote Only