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1215071-17-2 | 1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1215071-17-2 Catalog No: AG001535 MDL No:MFCD19443979
Product Description
Catalog Number:
AG001535
Chemical Name:
1-Piperidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1215071-17-2
Molecular Formula:
C10H15F2NO3
Molecular Weight:
235.2278
MDL Number:
MFCD19443979
IUPAC Name:
tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-6H2,1-3H3
InChI Key:
GDZBFUOJMJSIAZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=O)C(C1)(F)F)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.231g/mol
Monoisotopic Mass:
235.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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