Home Carboxys Ethyl 1-benzyl-4-trifluoromethylpyrrolidine-3-carboxylate

Ethyl 1-benzyl-4-trifluoromethylpyrrolidine-3-carboxylate

CAS No.:
913744-78-2
Catalog Number:
AG00GTEG
Molecular Formula:
C15H18F3NO2
Molecular Weight:
301.3041
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00GTEG
Chemical Name:
Ethyl 1-benzyl-4-trifluoromethylpyrrolidine-3-carboxylate
CAS Number:
913744-78-2
Molecular Formula:
C15H18F3NO2
Molecular Weight:
301.3041
MDL Number:
MFCD13195112
IUPAC Name:
ethyl 1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C15H18F3NO2/c1-2-21-14(20)12-9-19(10-13(12)15(16,17)18)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChI Key:
SJIVVBIUXVKZDK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CC1C(F)(F)F)Cc1ccccc1
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.129g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.309g/mol
Monoisotopic Mass:
301.129g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties