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2055848-75-2 | 1-Piperidinecarboxylic acid, 3-amino-4,4-difluoro-, 1,1-dimethylethyl ester, (3S)-
CAS No: 2055848-75-2 Catalog No: AG002A7M MDL No:
Product Description
Catalog Number:
AG002A7M
Chemical Name:
1-Piperidinecarboxylic acid, 3-amino-4,4-difluoro-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
2055848-75-2
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
IUPAC Name:
tert-butyl (3S)-3-amino-4,4-difluoropiperidine-1-carboxylate
InChI:
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-10(11,12)7(13)6-14/h7H,4-6,13H2,1-3H3/t7-/m0/s1
InChI Key:
QQCPPJQFZYGBHZ-ZETCQYMHSA-N
SMILES:
O=C(N1CCC([C@H](C1)N)(F)F)OC(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.263g/mol
Monoisotopic Mass:
236.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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