Home Carboxys 1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid hydrochloride

1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid hydrochloride

CAS No.:
50586-00-0
Catalog Number:
AG01A2KW
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A2KW
Chemical Name:
1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid hydrochloride
CAS Number:
50586-00-0
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
MDL Number:
MFCD22578635
IUPAC Name:
1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)5-12-3-1-2-6(4-12)7(13)14;/h6H,1-5H2,(H,13,14);1H
InChI Key:
PKHVDKLUQDSIMY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)CC(F)(F)F.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.642g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties