Home Other Building Blocks 2-(pyrrolidin-3-yl)acetamide, trifluoroacetic acid

2-(pyrrolidin-3-yl)acetamide, trifluoroacetic acid

CAS No.:
1989672-63-0
Catalog Number:
AG01B6B4
Molecular Formula:
C8H13F3N2O3
Molecular Weight:
242.1956
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Product Description
Catalog Number:
AG01B6B4
Chemical Name:
2-(pyrrolidin-3-yl)acetamide, trifluoroacetic acid
CAS Number:
1989672-63-0
Molecular Formula:
C8H13F3N2O3
Molecular Weight:
242.1956
MDL Number:
MFCD30342790
IUPAC Name:
2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H12N2O.C2HF3O2/c7-6(9)3-5-1-2-8-4-5;3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);(H,6,7)
InChI Key:
TWIGQBPPFJWYLG-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NC(=O)CC1CNCC1
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.198g/mol
Monoisotopic Mass:
242.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties