Home Carboxys rac-methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate hydrochloride, cis

rac-methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate hydrochloride, cis

CAS No.:
1909287-76-8
Catalog Number:
AG01B22I
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
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Product Description
Catalog Number:
AG01B22I
Chemical Name:
rac-methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate hydrochloride, cis
CAS Number:
1909287-76-8
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
MDL Number:
MFCD30478083
IUPAC Name:
methyl (3S,5R)-5-(trifluoromethyl)piperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H12F3NO2.ClH/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11;/h5-6,12H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChI Key:
SOQCKSUYTCVIEI-RIHPBJNCSA-N
SMILES:
COC(=O)[C@@H]1CNC[C@@H](C1)C(F)(F)F.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
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:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties