cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C389H531F19N30O2S7 — CID 161459079

IUPACcumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESC.CC(C)c1c(F)cccc1F.CC(C)c1c(F)cccc1F.CC(C)c1cc(C#N)ccn1.CC(C)c1cc(F)ccc1F.CC(C)c1cc(F)ccn1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)c1nc2cccnc2s1.CC(C)c1ncccc1F.Cc1cc(C(C)C)cc(F)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)nc1.Cc1cnc(C(C)C)s1.Cc1coc(C(C)C)n1.Cc1csc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)c1F.Cc1nnc(C(C)C)o1
InChIInChI=1S/4C10H13F.C10H15NS.3C10H14.3C9H10F2.2C9H12FN.5C9H11F.C9H10N2S.C9H10N2.C9H13NS.10C9H13N.3C9H12.2C8H10FN.2C8H12N2.C8H12S.C7H11NO.3C7H11NS.C6H10N2O.CH4/c1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(10)3-4-9(8)11;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)8-4-5-11-7(3)9(8)10;1-7(2)8-4-3-5-9(10)6-8;4*1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)9-5-8(6-10)3-4-11-9;1-6(2)9-10-7-4-3-5-8(7)11-9;2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;4*1-7(2)9-5-4-8(3)6-10-9;3*1-7(2)9-6-4-5-8(3)10-9;3*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-9-5-4-7(3)10-8;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;/h4*4-7H,1-3H3;7H,3-6H2,1-2H3;3*4-8H,1-3H3;3*3-6H,1-2H3;2*4-6H,1-3H3;5*3-7H,1-2H3;3-6H,1-2H3;3-5,7H,1-2H3;6H,3-5H2,1-2H3;10*4-7H,1-3H3;3*3-8H,1-2H3;2*3-6H,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;1H4
InChIKeyWBODWMYITGNGBI-UHFFFAOYSA-N
MW6245.17 g/mol
LogP119.71
Rot. Bonds44

About cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 161459079) has the molecular formula C389H531F19N30O2S7 and a molecular weight of 6245.17 g/mol. Its IUPAC name is cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Namecumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID161459079
Molecular FormulaC389H531F19N30O2S7
Molecular Weight6245.17 g/mol
Exact Mass6240.01
IUPAC Namecumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESC.CC(C)c1c(F)cccc1F.CC(C)c1c(F)cccc1F.CC(C)c1cc(C#N)ccn1.CC(C)c1cc(F)ccc1F.CC(C)c1cc(F)ccn1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)c1nc2cccnc2s1.CC(C)c1ncccc1F.Cc1cc(C(C)C)cc(F)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)nc1.Cc1cnc(C(C)C)s1.Cc1coc(C(C)C)n1.Cc1csc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)c1F.Cc1nnc(C(C)C)o1
InChIInChI=1S/4C10H13F.C10H15NS.3C10H14.3C9H10F2.2C9H12FN.5C9H11F.C9H10N2S.C9H10N2.C9H13NS.10C9H13N.3C9H12.2C8H10FN.2C8H12N2.C8H12S.C7H11NO.3C7H11NS.C6H10N2O.CH4/c1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(10)3-4-9(8)11;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)8-4-5-11-7(3)9(8)10;1-7(2)8-4-3-5-9(10)6-8;4*1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)9-5-8(6-10)3-4-11-9;1-6(2)9-10-7-4-3-5-8(7)11-9;2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;4*1-7(2)9-5-4-8(3)6-10-9;3*1-7(2)9-6-4-5-8(3)10-9;3*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-9-5-4-7(3)10-8;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;/h4*4-7H,1-3H3;7H,3-6H2,1-2H3;3*4-8H,1-3H3;3*3-6H,1-2H3;2*4-6H,1-3H3;5*3-7H,1-2H3;3-6H,1-2H3;3-5,7H,1-2H3;6H,3-5H2,1-2H3;10*4-7H,1-3H3;3*3-8H,1-2H3;2*3-6H,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;1H4
InChIKeyWBODWMYITGNGBI-UHFFFAOYSA-N
XLogP119.71
TPSA423.88 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds44
Heavy Atoms447
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006245.17
LogP ≤ 5119.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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What is the IUPAC name of cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 161459079) is cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is C.CC(C)c1c(F)cccc1F.CC(C)c1c(F)cccc1F.CC(C)c1cc(C#N)ccn1.CC(C)c1cc(F)ccc1F.CC(C)c1cc(F)ccn1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1ccccc1F.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)c1nc2cccnc2s1.CC(C)c1ncccc1F.Cc1cc(C(C)C)cc(F)n1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)nc1.Cc1cnc(C(C)C)s1.Cc1coc(C(C)C)n1.Cc1csc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nccc(C(C)C)c1F.Cc1nnc(C(C)C)o1.
What is the InChIKey of cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is WBODWMYITGNGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H13F.C10H15NS.3C10H14.3C9H10F2.2C9H12FN.5C9H11F.C9H10N2S.C9H10N2.C9H13NS.10C9H13N.3C9H12.2C8H10FN.2C8H12N2.C8H12S.C7H11NO.3C7H11NS.C6H10N2O.CH4/c1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(10)3-4-9(8)11;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)8-4-5-11-7(3)9(8)10;1-7(2)8-4-3-5-9(10)6-8;4*1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)9-5-8(6-10)3-4-11-9;1-6(2)9-10-7-4-3-5-8(7)11-9;2*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;4*1-7(2)9-5-4-8(3)6-10-9;3*1-7(2)9-6-4-5-8(3)10-9;3*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8-9-5-4-7(3)10-8;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;/h4*4-7H,1-3H3;7H,3-6H2,1-2H3;3*4-8H,1-3H3;3*3-6H,1-2H3;2*4-6H,1-3H3;5*3-7H,1-2H3;3-6H,1-2H3;3-5,7H,1-2H3;6H,3-5H2,1-2H3;10*4-7H,1-3H3;3*3-8H,1-2H3;2*3-6H,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3;4H,1-3H3;1H4.
What are the key properties of cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 6245.17 g/mol, XLogP of 119.71, 44 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;bis(1,3-difluoro-2-propan-2-ylbenzene);1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;tetrakis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;methane;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);tetrakis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylthiophene;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 161459079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).