About 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 161075281) has the molecular formula C219H315F10N15O
and a molecular weight of 3364.01 g/mol. Its IUPAC name is 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
Frequently Asked Questions
What is the IUPAC name of 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 161075281) is 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)c1cccc2c1CCCCCC2.CC(C)(C)c1cccc2c1CNC2.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cccc2c1CNCC2(F)F.CC(C)(C)c1cccc2c1CNCCC2.CC(C)(C)c1cccc2c1CNCCO2.CC(C)(C)c1cccc2c1CNC[C@@H]2C(F)(F)F.CC(C)(C)c1cccc2c1CNC[C@@H]2F.CC(C)(C)c1cccc2c1CNC[C@H]2C(F)(F)F.CC(C)(C)c1cccc2c1CNC[C@H]2F.C[C@@H]1CNCc2c1cccc2C(C)(C)C.C[C@@H]1Cc2cccc(C(C)(C)C)c2CN1.C[C@@H]1Cc2cccc(C(C)(C)C)c2CN1.C[C@H]1CNCc2c1cccc2C(C)(C)C.C[C@H]1Cc2cccc(C(C)(C)C)c2CN1.C[C@H]1Cc2cccc(C(C)(C)C)c2CN1.
What is the InChIKey of 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UFEMUGNNAVRSTA-HDOKKEMSSA-N. The full InChI is InChI=1S/C16H24.2C14H18F3N.7C14H21N.C13H17F2N.2C13H18FN.C13H19NO.C13H19N.C12H17N/c1-16(2,3)15-12-8-10-13-9-6-4-5-7-11-14(13)15;2*1-13(2,3)11-6-4-5-9-10(11)7-18-8-12(9)14(15,16)17;2*1-10-8-15-9-12-11(10)6-5-7-13(12)14(2,3)4;4*1-10-8-11-6-5-7-13(14(2,3)4)12(11)9-15-10;1-14(2,3)13-8-4-6-11-7-5-9-15-10-12(11)13;1-12(2,3)10-5-4-6-11-9(10)7-16-8-13(11,14)15;2*1-13(2,3)11-6-4-5-9-10(11)7-15-8-12(9)14;1-13(2,3)11-5-4-6-12-10(11)9-14-7-8-15-12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11/h8,10,12H,4-7,9,11H2,1-3H3;2*4-6,12,18H,7-8H2,1-3H3;6*5-7,10,15H,8-9H2,1-4H3;4,6,8,15H,5,7,9-10H2,1-3H3;4-6,16H,7-8H2,1-3H3;2*4-6,12,15H,7-8H2,1-3H3;4-6,14H,7-9H2,1-3H3;4-6,14H,7-9H2,1-3H3;4-6,13H,7-8H2,1-3H3/t;2*12-;6*10-;;;2*12-;;;/m.10101100..10.../s1.
What are the key properties of 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 3364.01 g/mol, XLogP of 50.64, 0 rotatable bonds, 15 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4,4-difluoro-2,3-dihydro-1H-isoquinoline;4-tert-butyl-2,3-dihydro-1H-isoindole;(4R)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-fluoro-1,2,3,4-tetrahydroisoquinoline;4-tert-butyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;bis((3R)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);bis((3S)-8-tert-butyl-3-methyl-1,2,3,4-tetrahydroisoquinoline);(4R)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-methyl-1,2,3,4-tetrahydroisoquinoline;9-tert-butyl-2,3,4,5-tetrahydro-1H-2-benzazepine;6-tert-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepine;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;(4R)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;(4S)-8-tert-butyl-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 161075281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).