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Home > Fluorides > 1258641-05-2
1258641-05-2 | tert-butyl N-[1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]carbamate
CAS No: 1258641-05-2 Catalog No: AG019RJI MDL No:MFCD17977201
Product Description
Catalog Number:
AG019RJI
Chemical Name:
tert-butyl N-[1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]carbamate
CAS Number:
1258641-05-2
Molecular Formula:
C15H19F3N2O2
Molecular Weight:
316.3188
MDL Number:
MFCD17977201
IUPAC Name:
tert-butyl N-[1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]carbamate
InChI:
InChI=1S/C15H19F3N2O2/c1-14(2,3)22-13(21)20-11-6-4-5-10-9(11)7-8-19-12(10)15(16,17)18/h4-6,12,19H,7-8H2,1-3H3,(H,20,21)
InChI Key:
MZUQLFFDWPFYSI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc2c1CCNC2C(F)(F)F
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.14g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.324g/mol
Monoisotopic Mass:
316.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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