Want to comment
on this record?

{(2R,3S)-3-[4-Chloro-3-(trifluoromethyl)phenyl]bicyclo[2.2.2]oct-2-yl}-N-methylmethanaminium chloride

ChemSpider ID: 40084
Molecular Formula: C₁₇H₂₂Cl₂F₃N
Average mass: 368.264496 Da
Monoisotopic mass: 367.108154 Da
Systematic name

{(2R,3S)-3-[4-Chloro-3-(trifluoromethyl)phenyl]bicyclo[2.2.2]oct-2-yl}-N-methylmethanaminium chloride
SMILES and InChIs

SMILES:

[Cl-].FC(F)(F)c1c(Cl)ccc(c1)[C@H]3C2CCC(CC2)[C@H]3C[NH2+]C Copied

Std. InChI:

InChI=1S/C17H21ClF3N.ClH/c1-22-9-13-10-2-4-11(5-3-10)16(13)12-6-7-15(18)14(8-12)17(19,20)21;/h6-8,10-11,13,16,22H,2-5,9H2,1H3;1H/t10?,11?,13-,16-;/m1./s1 Copied

Std. InChIKey:

WKHAKLNSYICTQD-QYTBXVMCSA-N Copied
Cite this record
CSID:40084, http://www.chemspider.com/Chemical-Structure.40084.html (accessed 17:33, Jun 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

62374-13-4 [RN]

BICYCLO(2.2.2)OCTANE-2-METHYLAMINE, 3-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)-N-METHY

cis-2-(4-Chloro-3-trifluorophenyl)-3-methylaminomethylbicyclo(2.2.2)octane hydrochloride

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor