About 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine
3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine (PubChem CID 160709931) has the molecular formula C186H234Cl5F19N11O13+
and a molecular weight of 3370.21 g/mol. Its IUPAC name is 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine.
Frequently Asked Questions
What is the IUPAC name of 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine?
The IUPAC name of 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine (CID 160709931) is 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine.
What is the SMILES notation for 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine?
The canonical SMILES for 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine is CC(C)(C)c1nc2ccccc2cc1C(F)(F)F.CC(C)(C)c1ncc2ccccc2c1C(F)(F)F.CC(C)c1c(Cl)cccc1C(F)(F)F.CC(C)c1cccc[n+]1O.CC(C)c1ccccn1.CC(C)c1cccn(C)c1=O.CC(C)c1nccc(C(F)(F)F)c1Cl.COc1c(C(C)C)ccc(F)c1F.COc1c(F)cc(F)cc1C(C)C.COc1c(F)cccc1C(C)C.COc1cc(C)n(C)c(=O)c1C(C)C.COc1cc(F)c(Cl)cc1C(C)C.COc1cc(F)cc(Cl)c1C(C)C.COc1cccc(Cl)c1C(C)C.Cc1c(C(C)C)ncc2ccccc12.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1ccc(C(C)C)c(=O)n1C.Cc1ccn(C)c(=O)c1C(C)C.
What is the InChIKey of 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine?
The InChIKey is FMAYJMJMZNWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14F3N.C13H15N.C11H17NO2.C10H10ClF3.2C10H12ClFO.C10H13ClO.2C10H12F2O.C10H13FO.3C10H15NO.C9H9ClF3N.C9H13NO.C8H12NO.C8H11N/c1-13(2,3)12-10(14(15,16)17)8-9-6-4-5-7-11(9)18-12;1-13(2,3)12-11(14(15,16)17)10-7-5-4-6-9(10)8-18-12;1-9(2)13-10(3)12-7-5-4-6-11(12)8-14-13;1-7(2)10-9(14-5)6-8(3)12(4)11(10)13;1-6(2)9-7(10(12,13)14)4-3-5-8(9)11;1-6(2)7-4-8(11)9(12)5-10(7)13-3;1-6(2)10-8(11)4-7(12)5-9(10)13-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-6(2)7-4-5-8(11)9(12)10(7)13-3;1-7(2)8-5-4-6-9(11)10(8)12-3;1-7(2)9-5-8(3)6-11(4)10(9)12;1-7(2)9-8(3)5-6-11(4)10(9)12;1-7(2)9-6-5-8(3)11(4)10(9)12;1-5(2)8-7(10)6(3-4-14-8)9(11,12)13;1-7(2)8-5-4-6-10(3)9(8)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-5-3-4-6-9-8/h2*4-8H,1-3H3;4-9H,1-3H3;6-7H,1-5H3;3-6H,1-2H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3*5-7H,1-4H3;3-5H,1-2H3;4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3/q;;;;;;;;;;;;;;;;+1;.
What are the key properties of 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine?
3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine has a molecular weight of 3370.21 g/mol, XLogP of 53.30, 23 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(trifluoromethyl)isoquinoline;2-tert-butyl-3-(trifluoromethyl)quinoline;1-chloro-2-fluoro-4-methoxy-5-propan-2-ylbenzene;1-chloro-5-fluoro-3-methoxy-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;1-chloro-2-propan-2-yl-3-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;1,2-difluoro-3-methoxy-4-propan-2-ylbenzene;1,5-difluoro-2-methoxy-3-propan-2-ylbenzene;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;1,6-dimethyl-3-propan-2-ylpyridin-2-one;1-fluoro-2-methoxy-3-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;4-methoxy-1,6-dimethyl-3-propan-2-ylpyridin-2-one;4-methyl-3-propan-2-ylisoquinoline;1-methyl-3-propan-2-ylpyridin-2-one;2-propan-2-ylpyridine is sourced from PubChem (CID 160709931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).