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1260615-28-8 | 1-Pyrrolidinecarboxylic acid, 2-[[[3-(trifluoromethyl)phenyl]amino]methyl]-, 1,1-dimethylethyl ester, (2R)-
CAS No: 1260615-28-8 Catalog No: AG000QW2 MDL No:
Product Description
Catalog Number:
AG000QW2
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[[3-(trifluoromethyl)phenyl]amino]methyl]-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
1260615-28-8
Molecular Formula:
C17H23F3N2O2
Molecular Weight:
344.3719
IUPAC Name:
tert-butyl (2R)-2-[[3-(difluoromethyl)anilino]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)21-9-5-8-14(21)11-20-13-7-4-6-12(10-13)15(18)19/h4,6-7,10,14-15,20H,5,8-9,11H2,1-3H3/t14-/m1/s1
InChI Key:
MREQDHSVWGYFRS-CQSZACIVSA-N
SMILES:
O=C(N1CCC[C@@H]1CNc1cccc(c1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.388g/mol
Monoisotopic Mass:
326.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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