Home Carboxys 1-Benzyl-3-trifluoromethyl-pyrrolidine-3-carboxylic acid

1-Benzyl-3-trifluoromethyl-pyrrolidine-3-carboxylic acid

CAS No.:
186203-08-7
Catalog Number:
AG00AVF9
Molecular Formula:
C13H14F3NO2
Molecular Weight:
273.2510
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Product Description
Catalog Number:
AG00AVF9
Chemical Name:
1-Benzyl-3-trifluoromethyl-pyrrolidine-3-carboxylic acid
CAS Number:
186203-08-7
Molecular Formula:
C13H14F3NO2
Molecular Weight:
273.2510
MDL Number:
MFCD11848045
IUPAC Name:
1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H14F3NO2/c14-13(15,16)12(11(18)19)6-7-17(9-12)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,19)
InChI Key:
BLIQUJLAJXRXSG-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCN(C1)Cc1ccccc1)C(F)(F)F
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.098g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.255g/mol
Monoisotopic Mass:
273.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties