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1258639-21-2 | 1-Piperidinecarboxylic acid, 4-(1,1-difluoro-2-hydroxyethyl)-, 1,1-dimethylethyl ester
CAS No: 1258639-21-2 Catalog No: AG000OVO MDL No:MFCD18433781
Product Description
Catalog Number:
AG000OVO
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1,1-difluoro-2-hydroxyethyl)-, 1,1-dimethylethyl ester
CAS Number:
1258639-21-2
Molecular Formula:
C12H21F2NO3
Molecular Weight:
265.2968
MDL Number:
MFCD18433781
IUPAC Name:
tert-butyl 4-(1,1-difluoro-2-hydroxyethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H21F2NO3/c1-11(2,3)18-10(17)15-6-4-9(5-7-15)12(13,14)8-16/h9,16H,4-8H2,1-3H3
InChI Key:
WNWABSZTCPDJRS-UHFFFAOYSA-N
SMILES:
OCC(C1CCN(CC1)C(=O)OC(C)(C)C)(F)F
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.301g/mol
Monoisotopic Mass:
265.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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