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1159983-77-3 | 1-Piperidinecarboxylic acid, 4-oxo-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1159983-77-3 Catalog No: AG000HF1 MDL No:MFCD08669340
Product Description
Catalog Number:
AG000HF1
Chemical Name:
1-Piperidinecarboxylic acid, 4-oxo-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1159983-77-3
Molecular Formula:
C11H16F3NO3
Molecular Weight:
267.2448
MDL Number:
MFCD08669340
IUPAC Name:
tert-butyl 4-oxo-3-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H16F3NO3/c1-10(2,3)18-9(17)15-5-4-8(16)7(6-15)11(12,13)14/h7H,4-6H2,1-3H3
InChI Key:
OAKIKPITPDYEAD-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.248g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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