Home Carbonyls 2-[(3Z)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-ylidene]-2-fluoroacetic acid

2-[(3Z)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-ylidene]-2-fluoroacetic acid

CAS No.:
1937358-25-2
Catalog Number:
AG01BXJK
Molecular Formula:
C11H16FNO4
Molecular Weight:
245.2474
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Product Description
Catalog Number:
AG01BXJK
Chemical Name:
2-[(3Z)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-ylidene]-2-fluoroacetic acid
CAS Number:
1937358-25-2
Molecular Formula:
C11H16FNO4
Molecular Weight:
245.2474
MDL Number:
MFCD30487840
IUPAC Name:
2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-ylidene]acetic acid
InChI:
InChI=1S/C11H16FNO4/c1-11(2,3)17-10(16)13-5-4-7(6-13)8(12)9(14)15/h4-6H2,1-3H3,(H,14,15)
InChI Key:
OOPFIYKQZSRWIZ-UHFFFAOYSA-N
SMILES:
O=C(N1CC/C(=C(\C(=O)O)/F)/C1)OC(C)(C)C
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.25g/mol
Monoisotopic Mass:
245.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.9  
Properties