Home Carboxys 1,2-Pyrrolidinedicarboxylic acid, 4-(difluoromethyl)-,1-(1,1-dimethylethyl) ester, (2S,4S)-

1,2-Pyrrolidinedicarboxylic acid, 4-(difluoromethyl)-,1-(1,1-dimethylethyl) ester, (2S,4S)-

CAS No.:
474417-79-3
Catalog Number:
AG00IMMF
Molecular Formula:
C11H17F2NO4
Molecular Weight:
265.2538
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Product Description
Catalog Number:
AG00IMMF
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-(difluoromethyl)-,1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS Number:
474417-79-3
Molecular Formula:
C11H17F2NO4
Molecular Weight:
265.2538
MDL Number:
MFCD09029765
IUPAC Name:
4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H17F2NO4/c1-11(2,3)18-10(17)14-5-6(8(12)13)4-7(14)9(15)16/h6-8H,4-5H2,1-3H3,(H,15,16)
InChI Key:
MYGMUZRVGABZMM-UHFFFAOYSA-N
SMILES:
FC([C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)F
Properties
Complexity:
340  
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:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties