3-(Difluoromethyl)-1,2,3,4-tetrahydro-7-(trifluoromethyl)isoquinoline

Base Information

• Chemical Name: 3-(Difluoromethyl)-1,2,3,4-tetrahydro-7-(trifluoromethyl)isoquinoline
• CAS No.: 889861-18-1
• Molecular Formula: C11H10F5N
• DSSTox Substance ID: DTXSID301156134
• Pharos Ligand ID: 2FSUVPKK5KJ5
• ChEMBL ID: CHEMBL206892

Synonyms:CHEMBL206892;DTXSID301156134;BDBM50186678;AKOS015965889;(+/-)-3-difluoromethyl-7-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline;3-(Difluoromethyl)-1,2,3,4-tetrahydro-7-(trifluoromethyl)isoquinoline;889861-18-1

Chemical Property of 3-(Difluoromethyl)-1,2,3,4-tetrahydro-7-(trifluoromethyl)isoquinoline

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 251.07334013
• Heavy Atom Count: 17
• Complexity: 265

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MSDS Files:

Useful:

• Canonical SMILES: C1C(NCC2=C1C=CC(=C2)C(F)(F)F)C(F)F

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