Home Carboxys tert-butyl 4,4-difluoro-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

tert-butyl 4,4-difluoro-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

CAS No.:
1334413-62-5
Catalog Number:
AG00IKMB
Molecular Formula:
C13H21F2NO4
Molecular Weight:
293.3069
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Product Description
Catalog Number:
AG00IKMB
Chemical Name:
tert-butyl 4,4-difluoro-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CAS Number:
1334413-62-5
Molecular Formula:
C13H21F2NO4
Molecular Weight:
293.3069
IUPAC Name:
tert-butyl 4,4-difluoro-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H21F2NO4/c1-12(2,3)20-11(18)16-6-5-13(14,15)9(8-16)7-10(17)19-4/h9H,5-8H2,1-4H3
InChI Key:
IUCHVJUINYDPFH-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CN(CCC1(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.144g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.311g/mol
Monoisotopic Mass:
293.144g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties