2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine

C274H338Br2F57N21O12 — CID 158531996

IUPAC2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)c(OC(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(OC(F)(F)F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(-c2ccccc2)c1.CC(C)c1ccc(OC(F)(F)F)c(-c2ccncc2)c1.CC(C)c1ccc(OC(F)(F)F)c(Br)c1.CC(C)c1ccc(OC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(Br)c1.CC(C)c1ccc(OCC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(N2CCCC2)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)ccc1OC(F)(F)F.Cc1cc(C(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C16H15F3O.C15H21F3N2.C15H14F3NO.C15H20F3NO.C14H19F3N2.2C14H18F3NO.C14H18F3N.C14H20F3N.2C13H13F3N2.C13H18F3NO.2C12H16F3NO.C12H16F3N.C12H15F3O.C11H12BrF3O.C11H13F3O.C10H10BrF3O.3C8H11N/c1-11(2)13-8-9-15(20-16(17,18)19)14(10-13)12-6-4-3-5-7-12;1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-10(2)12-3-4-14(20-15(16,17)18)13(9-12)11-5-7-19-8-6-11;1-11(2)12-5-6-14(20-10-15(16,17)18)13(9-12)19-7-3-4-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-10(2)11-5-6-12(18-7-3-4-8-18)13(9-11)19-14(15,16)17;1-10(2)11-5-6-13(18-7-3-4-8-18)12(9-11)14(15,16)17;1-5-18(6-2)13-8-7-11(10(3)4)9-12(13)14(15,16)17;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-6-12(11(7-10)17(3)4)18-8-13(14,15)16;1-8(2)9-5-6-11(17-12(13,14)15)10(7-9)16(3)4;1-8(2)9-5-6-10(16(3)4)11(7-9)17-12(13,14)15;1-8(2)9-5-6-11(16(3)4)10(7-9)12(13,14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-7(2)8-3-4-10(9(12)5-8)16-6-11(13,14)15;1-7(2)9-4-5-10(8(3)6-9)15-11(12,13)14;1-6(2)7-3-4-9(8(11)5-7)15-10(12,13)14;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-10H,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-10H,5-6H2,1-4H3;2*3-9H,1-2H3;5-7,9H,8H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3*3-7H,1-2H3
InChIKeyHNMJCWMIICBARQ-UHFFFAOYSA-N
MW5360.55 g/mol
LogP85.36
Rot. Bonds54

About 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine

2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 158531996) has the molecular formula C274H338Br2F57N21O12 and a molecular weight of 5360.55 g/mol. Its IUPAC name is 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID158531996
Molecular FormulaC274H338Br2F57N21O12
Molecular Weight5360.55 g/mol
Exact Mass5355.39
IUPAC Name2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)c(OC(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(OC(F)(F)F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(-c2ccccc2)c1.CC(C)c1ccc(OC(F)(F)F)c(-c2ccncc2)c1.CC(C)c1ccc(OC(F)(F)F)c(Br)c1.CC(C)c1ccc(OC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(Br)c1.CC(C)c1ccc(OCC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(N2CCCC2)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)ccc1OC(F)(F)F.Cc1cc(C(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C16H15F3O.C15H21F3N2.C15H14F3NO.C15H20F3NO.C14H19F3N2.2C14H18F3NO.C14H18F3N.C14H20F3N.2C13H13F3N2.C13H18F3NO.2C12H16F3NO.C12H16F3N.C12H15F3O.C11H12BrF3O.C11H13F3O.C10H10BrF3O.3C8H11N/c1-11(2)13-8-9-15(20-16(17,18)19)14(10-13)12-6-4-3-5-7-12;1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-10(2)12-3-4-14(20-15(16,17)18)13(9-12)11-5-7-19-8-6-11;1-11(2)12-5-6-14(20-10-15(16,17)18)13(9-12)19-7-3-4-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-10(2)11-5-6-12(18-7-3-4-8-18)13(9-11)19-14(15,16)17;1-10(2)11-5-6-13(18-7-3-4-8-18)12(9-11)14(15,16)17;1-5-18(6-2)13-8-7-11(10(3)4)9-12(13)14(15,16)17;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-6-12(11(7-10)17(3)4)18-8-13(14,15)16;1-8(2)9-5-6-11(17-12(13,14)15)10(7-9)16(3)4;1-8(2)9-5-6-10(16(3)4)11(7-9)17-12(13,14)15;1-8(2)9-5-6-11(16(3)4)10(7-9)12(13,14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-7(2)8-3-4-10(9(12)5-8)16-6-11(13,14)15;1-7(2)9-4-5-10(8(3)6-9)15-11(12,13)14;1-6(2)7-3-4-9(8(11)5-7)15-10(12,13)14;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-10H,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-10H,5-6H2,1-4H3;2*3-9H,1-2H3;5-7,9H,8H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3*3-7H,1-2H3
InChIKeyHNMJCWMIICBARQ-UHFFFAOYSA-N
XLogP85.36
TPSA248.87 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds54
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005360.55
LogP ≤ 585.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine with MolForge

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What is the IUPAC name of 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine (CID 158531996) is 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine is CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2ccnc2)c(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)c(OC(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCCC2)c(OC(F)(F)F)c1.CC(C)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.CC(C)c1ccc(OC(F)(F)F)c(-c2ccccc2)c1.CC(C)c1ccc(OC(F)(F)F)c(-c2ccncc2)c1.CC(C)c1ccc(OC(F)(F)F)c(Br)c1.CC(C)c1ccc(OC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(Br)c1.CC(C)c1ccc(OCC(F)(F)F)c(N(C)C)c1.CC(C)c1ccc(OCC(F)(F)F)c(N2CCCC2)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CCN(CC)c1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)ccc1OC(F)(F)F.Cc1cc(C(C)C)ccc1OCC(F)(F)F.
What is the InChIKey of 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is HNMJCWMIICBARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O.C15H21F3N2.C15H14F3NO.C15H20F3NO.C14H19F3N2.2C14H18F3NO.C14H18F3N.C14H20F3N.2C13H13F3N2.C13H18F3NO.2C12H16F3NO.C12H16F3N.C12H15F3O.C11H12BrF3O.C11H13F3O.C10H10BrF3O.3C8H11N/c1-11(2)13-8-9-15(20-16(17,18)19)14(10-13)12-6-4-3-5-7-12;1-11(2)12-4-5-14(13(10-12)15(16,17)18)20-8-6-19(3)7-9-20;1-10(2)12-3-4-14(20-15(16,17)18)13(9-12)11-5-7-19-8-6-11;1-11(2)12-5-6-14(20-10-15(16,17)18)13(9-12)19-7-3-4-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)19-7-5-18-6-8-19;1-10(2)11-3-4-13(12(9-11)14(15,16)17)18-5-7-19-8-6-18;1-10(2)11-5-6-12(18-7-3-4-8-18)13(9-11)19-14(15,16)17;1-10(2)11-5-6-13(18-7-3-4-8-18)12(9-11)14(15,16)17;1-5-18(6-2)13-8-7-11(10(3)4)9-12(13)14(15,16)17;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)10-3-4-12(18-6-5-17-8-18)11(7-10)13(14,15)16;1-9(2)10-5-6-12(11(7-10)17(3)4)18-8-13(14,15)16;1-8(2)9-5-6-11(17-12(13,14)15)10(7-9)16(3)4;1-8(2)9-5-6-10(16(3)4)11(7-9)17-12(13,14)15;1-8(2)9-5-6-11(16(3)4)10(7-9)12(13,14)15;1-8(2)10-4-5-11(9(3)6-10)16-7-12(13,14)15;1-7(2)8-3-4-10(9(12)5-8)16-6-11(13,14)15;1-7(2)9-4-5-10(8(3)6-9)15-11(12,13)14;1-6(2)7-3-4-9(8(11)5-7)15-10(12,13)14;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-10H,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,9-10,18H,5-8H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;7-10H,5-6H2,1-4H3;2*3-9H,1-2H3;5-7,9H,8H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3*3-7H,1-2H3.
What are the key properties of 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine?
2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 5360.55 g/mol, XLogP of 85.36, 54 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-bromo-4-propan-2-yl-1-(trifluoromethoxy)benzene;N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-5-propan-2-yl-2-(trifluoromethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;2-methyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;2-phenyl-4-propan-2-yl-1-(trifluoromethoxy)benzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;4-[5-propan-2-yl-2-(trifluoromethoxy)phenyl]pyridine;1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 158531996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).