Home Carboxys 1-[(benzyloxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid

1-[(benzyloxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid

CAS No.:
1356338-81-2
Catalog Number:
AG00IKX0
Molecular Formula:
C14H15F2NO4
Molecular Weight:
299.2700
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Product Description
Catalog Number:
AG00IKX0
Chemical Name:
1-[(benzyloxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid
CAS Number:
1356338-81-2
Molecular Formula:
C14H15F2NO4
Molecular Weight:
299.2700
MDL Number:
MFCD21601873
IUPAC Name:
5,5-difluoro-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C14H15F2NO4/c15-14(16)6-11(12(18)19)7-17(9-14)13(20)21-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,18,19)
InChI Key:
AICPFFSPPXEEKL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CC(C1)(F)F)C(=O)OCc1ccccc1
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.097g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.274g/mol
Monoisotopic Mass:
299.097g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties