Home Carbonyls 1-(Tert-Butoxycarbonyl)-4,4-Difluoro-2-Methylpyrrolidine-2-Carboxylic Acid

1-(Tert-Butoxycarbonyl)-4,4-Difluoro-2-Methylpyrrolidine-2-Carboxylic Acid

CAS No.:
1447943-90-9
Catalog Number:
AG00HX7Y
Molecular Formula:
C11H17F2NO4
Molecular Weight:
265.2538
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Product Description
Catalog Number:
AG00HX7Y
Chemical Name:
1-(Tert-Butoxycarbonyl)-4,4-Difluoro-2-Methylpyrrolidine-2-Carboxylic Acid
CAS Number:
1447943-90-9
Molecular Formula:
C11H17F2NO4
Molecular Weight:
265.2538
MDL Number:
MFCD28119169
IUPAC Name:
4,4-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-6-11(12,13)5-10(14,4)7(15)16/h5-6H2,1-4H3,(H,15,16)
InChI Key:
JWWNJDSEXLKVLH-UHFFFAOYSA-N
SMILES:
O=C(N1CC(CC1(C)C(=O)O)(F)F)OC(C)(C)C
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.113g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.257g/mol
Monoisotopic Mass:
265.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties