Home Other Building Blocks 1-ethyl-5-oxo-2-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide, trans

1-ethyl-5-oxo-2-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide, trans

CAS No.:
1820580-81-1
Catalog Number:
AG01BGWB
Molecular Formula:
C13H13F3N2O2
Molecular Weight:
286.2497
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Product Description
Catalog Number:
AG01BGWB
Chemical Name:
1-ethyl-5-oxo-2-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide, trans
CAS Number:
1820580-81-1
Molecular Formula:
C13H13F3N2O2
Molecular Weight:
286.2497
MDL Number:
MFCD28656792
IUPAC Name:
(2R,3R)-1-ethyl-5-oxo-2-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
InChI:
InChI=1S/C13H13F3N2O2/c1-2-18-10(19)5-7(13(17)20)12(18)6-3-8(14)11(16)9(15)4-6/h3-4,7,12H,2,5H2,1H3,(H2,17,20)/t7-,12+/m1/s1
InChI Key:
WGKRLFOLQPRJEQ-KRTXAFLBSA-N
SMILES:
CCN1C(=O)C[C@H]([C@@H]1c1cc(F)c(c(c1)F)F)C(=O)N
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
286.093g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.254g/mol
Monoisotopic Mass:
286.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties