Home Other Building Blocks 2,2,2-trifluoro-1-[7-(oxiran-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one

2,2,2-trifluoro-1-[7-(oxiran-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one

CAS No.:
2126162-97-6
Catalog Number:
AG01EK0B
Molecular Formula:
C13H12F3NO2
Molecular Weight:
271.2351
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Product Description
Catalog Number:
AG01EK0B
Chemical Name:
2,2,2-trifluoro-1-[7-(oxiran-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one
CAS Number:
2126162-97-6
Molecular Formula:
C13H12F3NO2
Molecular Weight:
271.2351
MDL Number:
MFCD31381408
IUPAC Name:
2,2,2-trifluoro-1-[7-(oxiran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C13H12F3NO2/c14-13(15,16)12(18)17-4-3-8-1-2-9(11-7-19-11)5-10(8)6-17/h1-2,5,11H,3-4,6-7H2
InChI Key:
ITKBZCZZROAREN-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCc2c(C1)cc(cc2)C1OC1
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.239g/mol
Monoisotopic Mass:
271.082g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties