Home Carboxys tert-butyl4-(benzyloxy)-3,3-difluoropyrrolidine-1-carboxylate-B28164

tert-butyl4-(benzyloxy)-3,3-difluoropyrrolidine-1-carboxylate-B28164

CAS No.:
1610714-49-2
Catalog Number:
AG019G2T
Molecular Formula:
C16H21F2NO3
Molecular Weight:
313.3396
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Product Description
Catalog Number:
AG019G2T
Chemical Name:
tert-butyl4-(benzyloxy)-3,3-difluoropyrrolidine-1-carboxylate-B28164
CAS Number:
1610714-49-2
Molecular Formula:
C16H21F2NO3
Molecular Weight:
313.3396
MDL Number:
MFCD27978619
IUPAC Name:
tert-butyl 3,3-difluoro-4-phenylmethoxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H21F2NO3/c1-15(2,3)22-14(20)19-9-13(16(17,18)11-19)21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChI Key:
YBTXFRMIDRBSDO-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C(C1)(F)F)OCc1ccccc1)OC(C)(C)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.149g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.345g/mol
Monoisotopic Mass:
313.149g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties