Home Other Building Blocks 2,2,2-trifluoro-1-{octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one hydrochloride, Mixture of diastereomers

2,2,2-trifluoro-1-{octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one hydrochloride, Mixture of diastereomers

CAS No.:
1864015-21-3
Catalog Number:
AG01AUOX
Molecular Formula:
C9H14ClF3N2O
Molecular Weight:
258.6685
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AUOX
Chemical Name:
2,2,2-trifluoro-1-{octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one hydrochloride, Mixture of diastereomers
CAS Number:
1864015-21-3
Molecular Formula:
C9H14ClF3N2O
Molecular Weight:
258.6685
MDL Number:
MFCD29041154
IUPAC Name:
1-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)-2,2,2-trifluoroethanone;hydrochloride
InChI:
InChI=1S/C9H13F3N2O.ClH/c10-9(11,12)8(15)14-4-6-1-2-13-3-7(6)5-14;/h6-7,13H,1-5H2;1H
InChI Key:
ZHIAERYTIDXKHA-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CC2C(C1)CCNC2.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.669g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties