Home Other Building Blocks 2-methyl-2-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine hydrochloride

2-methyl-2-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine hydrochloride

CAS No.:
1955557-95-5
Catalog Number:
AG01B5PI
Molecular Formula:
C13H17ClF3NO
Molecular Weight:
295.7284
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Product Description
Catalog Number:
AG01B5PI
Chemical Name:
2-methyl-2-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidine hydrochloride
CAS Number:
1955557-95-5
Molecular Formula:
C13H17ClF3NO
Molecular Weight:
295.7284
MDL Number:
MFCD30181185
IUPAC Name:
2-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C13H16F3NO.ClH/c1-12(7-2-8-17-12)9-10-3-5-11(6-4-10)18-13(14,15)16;/h3-6,17H,2,7-9H2,1H3;1H
InChI Key:
RYRSWUVSMYISSL-UHFFFAOYSA-N
SMILES:
CC1(CCCN1)Cc1ccc(cc1)OC(F)(F)F.Cl
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.73g/mol
Monoisotopic Mass:
295.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties