Home Other Building Blocks 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

CAS No.:
1096306-23-8
Catalog Number:
AG01AIC5
Molecular Formula:
C11H13F3N2O
Molecular Weight:
246.2289
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Product Description
Catalog Number:
AG01AIC5
Chemical Name:
1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CAS Number:
1096306-23-8
Molecular Formula:
C11H13F3N2O
Molecular Weight:
246.2289
MDL Number:
MFCD11641008
IUPAC Name:
1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
InChI:
InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-3-1-2-9(6-10)16-5-4-8(15)7-16/h1-3,6,8H,4-5,7,15H2
InChI Key:
QNJREWJCDASCTQ-UHFFFAOYSA-N
SMILES:
NC1CCN(C1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.233g/mol
Monoisotopic Mass:
246.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties