Home Other Building Blocks ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate, trifluoroacetic acid

ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate, trifluoroacetic acid

CAS No.:
1955499-73-6
Catalog Number:
AG01B3YB
Molecular Formula:
C10H15F4NO4
Molecular Weight:
289.2240
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Product Description
Catalog Number:
AG01B3YB
Chemical Name:
ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate, trifluoroacetic acid
CAS Number:
1955499-73-6
Molecular Formula:
C10H15F4NO4
Molecular Weight:
289.2240
MDL Number:
MFCD29991750
IUPAC Name:
ethyl 2-fluoro-2-pyrrolidin-3-ylacetate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H14FNO2.C2HF3O2/c1-2-12-8(11)7(9)6-3-4-10-5-6;3-2(4,5)1(6)7/h6-7,10H,2-5H2,1H3;(H,6,7)
InChI Key:
YSGBQQBTLBOFFU-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CCOC(=O)C(C1CNCC1)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.227g/mol
Monoisotopic Mass:
289.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties