Home Other Building Blocks N-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide hydrochloride

N-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide hydrochloride

CAS No.:
1909318-58-6
Catalog Number:
AG01C3ZW
Molecular Formula:
C13H16ClF3N2O
Molecular Weight:
308.7271
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Product Description
Catalog Number:
AG01C3ZW
Chemical Name:
N-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide hydrochloride
CAS Number:
1909318-58-6
Molecular Formula:
C13H16ClF3N2O
Molecular Weight:
308.7271
MDL Number:
MFCD29762948
IUPAC Name:
N-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
InChI:
InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10;/h1-5,17H,6-9H2,(H,18,19);1H
InChI Key:
RZZLRIYRLUFIMV-UHFFFAOYSA-N
SMILES:
O=C(C1(CNCC1)C(F)(F)F)NCc1ccccc1.Cl
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
308.729g/mol
Monoisotopic Mass:
308.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties