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(2S,3S)-1-(tert-butoxycarbonyl)-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid

(2S,3S)-1-(tert-butoxycarbonyl)-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS: 2365390-66-3

Formula: C11H16F3NO4

SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1C(F)(F)F)C(O)=O

IUPAC: (2S,3S)-1-[(tert-butoxy)carbonyl]-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-4-6(8(16)17)7(15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7-/m0/s1

Composition: C (46.65%), H (5.69%), F (20.12%), N (4.95%), O (22.59%)

Molar Mass: 283.247

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 283.103142488
Formal Charge 0
FSP3 0.82
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LVUQHAREUKFTRZ-BQBZGAKWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.44
Topological Polar Surface Area 66.84
Polarizability 22.37
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2365390-66-3 $286.35-$7,912.00$286.35$457.70$687.70$1,147.70$2,162.00$7,912.00
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