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tert-butyl 3-amino-3-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-3-(trifluoromethyl)pyrrolidine-1-carboxylate

CAS: 1260795-79-6

Formula: C10H17F3N2O2

SMILES: CC(C)(C)OC(=O)N1CCC(N)(C1)C(F)(F)F

IUPAC: tert-butyl 3-amino-3-(trifluoromethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C10H17F3N2O2/c1-8(2,3)17-7(16)15-5-4-9(14,6-15)10(11,12)13/h4-6,14H2,1-3H3

Composition: C (47.24%), H (6.74%), F (22.42%), N (11.02%), O (12.59%)

Molar Mass: 254.253

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 254.124212284
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YHPCKIFBYOPVAL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.54
Topological Polar Surface Area 55.56
Polarizability 21.32
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 1260795-79-6 $834.00-$5,040.00$834.00$2,200.00$5,040.00
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