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1257293-84-7 | 1-Azetidinecarboxylic acid, 3-(4,4-difluoro-1-piperidinyl)-, 1,1-dimethylethyl ester
CAS No: 1257293-84-7 Catalog No: AG000OK8 MDL No:
Product Description
Catalog Number:
AG000OK8
Chemical Name:
1-Azetidinecarboxylic acid, 3-(4,4-difluoro-1-piperidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1257293-84-7
Molecular Formula:
C13H22F2N2O2
Molecular Weight:
276.3228
IUPAC Name:
tert-butyl 3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylate
InChI:
InChI=1S/C13H22F2N2O2/c1-12(2,3)19-11(18)17-8-10(9-17)16-6-4-13(14,15)5-7-16/h10H,4-9H2,1-3H3
InChI Key:
VSPPNZHFLNKLCC-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)N1CCC(CC1)(F)F)OC(C)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.328g/mol
Monoisotopic Mass:
276.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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