Home Carboxys (3S,4R)-ethyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate

(3S,4R)-ethyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate

CAS No.:
915158-39-3
Catalog Number:
AG01DJPD
Molecular Formula:
C17H23F2NO2
Molecular Weight:
311.3668
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Product Description
Catalog Number:
AG01DJPD
Chemical Name:
(3S,4R)-ethyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate
CAS Number:
915158-39-3
Molecular Formula:
C17H23F2NO2
Molecular Weight:
311.3668
MDL Number:
MFCD31759974
IUPAC Name:
ethyl (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C17H23F2NO2/c1-5-22-16(21)14-10-20(17(2,3)4)9-13(14)12-7-6-11(18)8-15(12)19/h6-8,13-14H,5,9-10H2,1-4H3/t13-,14+/m0/s1
InChI Key:
BWWLLGQSYULNNY-UONOGXRCSA-N
SMILES:
CCOC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1F)F)C(C)(C)C
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
311.17g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.373g/mol
Monoisotopic Mass:
311.17g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties