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(2S,4S)-1-[(benzyloxy)carbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid

(2S,4S)-1-[(benzyloxy)carbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid

CAS: 2580094-13-7

Formula: C15H16F3NO4

SMILES: OC(=O)[C@@H]1C[C@H](CCN1C(=O)OCC1=CC=CC=C1)C(F)(F)F

IUPAC: (2S,4S)-1-[(benzyloxy)carbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid

InChI: InChI=1S/C15H16F3NO4/c16-15(17,18)11-6-7-19(12(8-11)13(20)21)14(22)23-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,20,21)/t11-,12-/m0/s1

Composition: C (54.38%), H (4.87%), F (17.20%), N (4.23%), O (19.32%)

Molar Mass: 331.291

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 331.103142488
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DFPRYGKQAKFNLF-RYUDHWBXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.87
Topological Polar Surface Area 66.84
Polarizability 28.08
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2580094-13-7 $631.35-$7,912.00$631.35$1,147.70$2,162.00$7,912.00
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