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Home > Fluorides > 1286265-98-2
1286265-98-2 | tert-Butyl 1-[3-fluoro-4-(trifluoromethyl)benzyl]piperidin-4-ylcarbamate
CAS No: 1286265-98-2 Catalog No: AG01F4OV MDL No:
Product Description
Catalog Number:
AG01F4OV
Chemical Name:
tert-Butyl 1-[3-fluoro-4-(trifluoromethyl)benzyl]piperidin-4-ylcarbamate
CAS Number:
1286265-98-2
Molecular Formula:
C18H24F4N2O2
Molecular Weight:
376.3890
IUPAC Name:
tert-butyl N-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C18H24F4N2O2/c1-17(2,3)26-16(25)23-13-6-8-24(9-7-13)11-12-4-5-14(15(19)10-12)18(20,21)22/h4-5,10,13H,6-9,11H2,1-3H3,(H,23,25)
InChI Key:
ZWISOFWPRUKCKW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1ccc(c(c1)F)C(F)(F)F
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.177g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.396g/mol
Monoisotopic Mass:
376.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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