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tert-butyl N-[(3R,4R)-4-fluoropiperidin-3-yl]carbamate; tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-fluoropiperidin-3-yl]carbamate; tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate

CAS: 1052713-46-8

Formula: C20H38F2N4O4

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

IUPAC: tert-butyl N-[(3R,4R)-4-fluoropiperidin-3-yl]carbamate; tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate

InChI: InChI=1S/2C10H19FN2O2/c2*1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11/h2*7-8,12H,4-6H2,1-3H3,(H,13,14)/t2*7-,8-/m10/s1

Composition: C (55.03%), H (8.77%), F (8.70%), N (12.83%), O (14.66%)

Molar Mass: 436.545

Atom Count: 68

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 436.286112046
Formal Charge 0
FSP3 0.9
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey JNVYKXDZNRMSDA-SRPOWUSQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.35
Topological Polar Surface Area 50.36
Polarizability 21.61
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1052713-46-8 $259.77-$1,070.59$259.77$416.13$714.99$1,070.59
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