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Home > Fluorides > 1286274-82-5
1286274-82-5 | tert-Butyl 1-(2,4,6-trifluorobenzyl)piperidin-4-ylcarbamate
CAS No: 1286274-82-5 Catalog No: AG01F6U5 MDL No:
Product Description
Catalog Number:
AG01F6U5
Chemical Name:
tert-Butyl 1-(2,4,6-trifluorobenzyl)piperidin-4-ylcarbamate
CAS Number:
1286274-82-5
Molecular Formula:
C17H23F3N2O2
Molecular Weight:
344.3719
IUPAC Name:
tert-butyl N-[1-[(2,4,6-trifluorophenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H23F3N2O2/c1-17(2,3)24-16(23)21-12-4-6-22(7-5-12)10-13-14(19)8-11(18)9-15(13)20/h8-9,12H,4-7,10H2,1-3H3,(H,21,23)
InChI Key:
UUFHFFBUZGEUFQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1c(F)cc(cc1F)F
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.171g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.378g/mol
Monoisotopic Mass:
344.171g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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