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886779-69-7 | tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate
CAS No: 886779-69-7 Catalog No: AG0039SH MDL No:MFCD08686626
Product Description
Catalog Number:
AG0039SH
Chemical Name:
tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate
CAS Number:
886779-69-7
Molecular Formula:
C10H17F3N2O2
Molecular Weight:
254.2494
MDL Number:
MFCD08686626
IUPAC Name:
tert-butyl 3-(trifluoromethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3
InChI Key:
WCGKHZHOGLVVPU-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.124g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.253g/mol
Monoisotopic Mass:
254.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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