Home Other Building Blocks 2-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine hydrochloride

2-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine hydrochloride

CAS No.:
1955539-90-8
Catalog Number:
AG01B5JB
Molecular Formula:
C13H17ClF3N
Molecular Weight:
279.7290
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Product Description
Catalog Number:
AG01B5JB
Chemical Name:
2-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine hydrochloride
CAS Number:
1955539-90-8
Molecular Formula:
C13H17ClF3N
Molecular Weight:
279.7290
MDL Number:
MFCD30181106
IUPAC Name:
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C13H16F3N.ClH/c1-12(6-3-7-17-12)9-10-4-2-5-11(8-10)13(14,15)16;/h2,4-5,8,17H,3,6-7,9H2,1H3;1H
InChI Key:
VDZSXKVDHZHNOY-UHFFFAOYSA-N
SMILES:
CC1(CCCN1)Cc1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.731g/mol
Monoisotopic Mass:
279.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties