Home Other Building Blocks rac-tert-butyl N-[(3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl]carbamate, trans

rac-tert-butyl N-[(3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl]carbamate, trans

CAS No.:
1628549-64-3
Catalog Number:
AG01BTWD
Molecular Formula:
C15H21FN2O2
Molecular Weight:
280.3378
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Product Description
Catalog Number:
AG01BTWD
Chemical Name:
rac-tert-butyl N-[(3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl]carbamate, trans
CAS Number:
1628549-64-3
Molecular Formula:
C15H21FN2O2
Molecular Weight:
280.3378
MDL Number:
MFCD21608506
IUPAC Name:
tert-butyl N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-13-9-17-8-12(13)10-4-6-11(16)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19)/t12-,13+/m0/s1
InChI Key:
NGLYODSLROCQTQ-QWHCGFSZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CNC[C@H]1c1ccc(cc1)F
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
280.159g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.343g/mol
Monoisotopic Mass:
280.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties