Home Carboxys tert-Butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

tert-Butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

CAS No.:
884512-51-0
Catalog Number:
AG00IF3L
Molecular Formula:
C12H18F3NO3
Molecular Weight:
281.2714
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Product Description
Catalog Number:
AG00IF3L
Chemical Name:
tert-Butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CAS Number:
884512-51-0
Molecular Formula:
C12H18F3NO3
Molecular Weight:
281.2714
MDL Number:
MFCD11501653
IUPAC Name:
tert-butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H18F3NO3/c1-11(2,3)19-10(18)16-6-4-5-8(7-16)9(17)12(13,14)15/h8H,4-7H2,1-3H3
InChI Key:
WUIDPMIFPWKNKG-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)C(=O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
360  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties