AG003A3I

1093759-80-8 | tert-Butyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

AG003A3I

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CAS Number	1093759-80-8
Catalog Number	AG003A3I(AGN-PC-0WC8RH)
Chemical Name	tert-Butyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
IUPAC Name	tert-butyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
InChI	InChI=1S/C12H18F3NO3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)9(17)12(13,14)15/h8H,4-7H2,1-3H3
InChI Key	DKGLHGUIKUSWSB-UHFFFAOYSA-N
MDL Number	MFCD11501650
Molecular Formula	C12H18F3NO3
Molecular Weight	281.2714
SMILES	FC(C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)(F)F
Synonyms	TERT-BUTYL 4-(2,2,2-TRIFLUOROACETYL)PIPERIDINE-1-CARBOXYLATE, 1093759-80-8, W-204719, tert-butyl 4-(trifluoroacetyl)piperidine-1-carboxylate, 4-(Trifluoroacetyl)piperidine, N-BOC protected, DTXSID00678046, ZX-AP010536, MFCD11501650, ZINC71790088, AKOS015949527, CS-W001293, DS-3302, PC49510, RP07556, AK403030, 1-Boc 4-(2,2,2-Trifluoroacetyl)piperidine, FT-0685017, Y7022, 4-(Trifluoroacetyl)piperidine,N-BOC protected, J-524584, 1-(tert-Butoxycarbonyl)-4-(trifluoroacetyl)piperidine, t-Butyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate, C12H18F3NO3,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.124g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	281.275g/mol
Monoisotopic Mass	281.124g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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