1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

C165H202F31N13O8S7 — CID 167559547

IUPAC1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)c1ccnnc1.CC(C)n1ccnc1.CC(C)n1cnc(C(F)(F)F)n1.Cc1nc2ccc(C(C)C)cc2s1.Cc1ncn(C(C)C)n1
InChIInChI=1S/C11H13NS.C11H12O.2C10H10F4.C10H11F3O.2C10H12F2O.C10H12F2.C10H13FO2S.2C10H11NS.C10H14O2S.2C9H11F5S.C7H10N2.C6H8F3N3.C6H11N3.C6H10N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)9-5-4-8(6-10(9)11)14(3,12)13;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)15(10,11,12,13)14;1-7(2)8-4-3-5-9(6-8)15(10,11,12,13)14;1-6(2)7-3-4-8-9-5-7;1-4(2)12-3-10-5(11-12)6(7,8)9;1-5(2)9-4-7-6(3)8-9;1-6(2)8-4-3-7-5-8/h4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-7,10H,1-2H3;3-7,10H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyDLTASURUXVGUCH-UHFFFAOYSA-N
MW3308.92 g/mol
LogP57.95
Rot. Bonds28

About 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 167559547) has the molecular formula C165H202F31N13O8S7 and a molecular weight of 3308.92 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID167559547
Molecular FormulaC165H202F31N13O8S7
Molecular Weight3308.92 g/mol
Exact Mass3306.33
IUPAC Name1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)c1ccnnc1.CC(C)n1ccnc1.CC(C)n1cnc(C(F)(F)F)n1.Cc1nc2ccc(C(C)C)cc2s1.Cc1ncn(C(C)C)n1
InChIInChI=1S/C11H13NS.C11H12O.2C10H10F4.C10H11F3O.2C10H12F2O.C10H12F2.C10H13FO2S.2C10H11NS.C10H14O2S.2C9H11F5S.C7H10N2.C6H8F3N3.C6H11N3.C6H10N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)9-5-4-8(6-10(9)11)14(3,12)13;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)15(10,11,12,13)14;1-7(2)8-4-3-5-9(6-8)15(10,11,12,13)14;1-6(2)7-3-4-8-9-5-7;1-4(2)12-3-10-5(11-12)6(7,8)9;1-5(2)9-4-7-6(3)8-9;1-6(2)8-4-3-7-5-8/h4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-7,10H,1-2H3;3-7,10H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyDLTASURUXVGUCH-UHFFFAOYSA-N
XLogP57.95
TPSA252.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003308.92
LogP ≤ 557.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole with MolForge

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Related Compounds

6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 158789828
3-tert-butyl-1-(3-fluorophenyl)pyrazole;2-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxy)-2-ethylbenzene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;methyl 3-tert-butylbenzoate
CID 160849399
1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;2-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxy)-2-ethylbenzene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
CID 167703604
2-bromo-5-tert-butyl-1,3-thiazole;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-5-methoxy-3H-indole;2-tert-butyl-1-methylbenzimidazole;6-fluoro-2-propan-2-yl-1H-indene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole
CID 157696286
1-ethyl-4-propan-2-ylpyrazole;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1-benzofuran;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-3H-indole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylpyridine;6-propan-2-ylquinoline
CID 158252198
1,4-Di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)
CID 159775445
2-bromo-5-tert-butyl-1,3-thiazole;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole
CID 160135265
2-methyl-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 160342194
3-Tert-butyl-6-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole;3-[9-[1-(3,5-diphenyl-1,2,4-triazin-1-ium-1-yl)-2,3-dihydroindol-7-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 160401634
3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1H-isoindole
CID 161555286
4-Tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;4-tert-butyl-1-methylindole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(3-tert-butylphenyl)triazole;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylhexane;5,5-dimethylhex-1-ene;5,5-dimethylhex-1-yne;bis(4,4-dimethyl-1-methylsulfonylpentane);1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane
CID 161778906

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (CID 167559547) is 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)c1ccc(S(F)(F)(F)(F)F)cc1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(S(F)(F)(F)(F)F)c1.CC(C)c1ccnnc1.CC(C)n1ccnc1.CC(C)n1cnc(C(F)(F)F)n1.Cc1nc2ccc(C(C)C)cc2s1.Cc1ncn(C(C)C)n1.
What is the InChIKey of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is DLTASURUXVGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS.C11H12O.2C10H10F4.C10H11F3O.2C10H12F2O.C10H12F2.C10H13FO2S.2C10H11NS.C10H14O2S.2C9H11F5S.C7H10N2.C6H8F3N3.C6H11N3.C6H10N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)9-5-4-8(6-10(9)11)14(3,12)13;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)15(10,11,12,13)14;1-7(2)8-4-3-5-9(6-8)15(10,11,12,13)14;1-6(2)7-3-4-8-9-5-7;1-4(2)12-3-10-5(11-12)6(7,8)9;1-5(2)9-4-7-6(3)8-9;1-6(2)8-4-3-7-5-8/h4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-7,10H,1-2H3;3-7,10H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;4-5H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 3308.92 g/mol, XLogP of 57.95, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-4-propan-2-ylbenzene;pentafluoro-(3-propan-2-ylphenyl)-λ6-sulfane;pentafluoro-(4-propan-2-ylphenyl)-λ6-sulfane;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;1-propan-2-ylimidazole;4-propan-2-ylpyridazine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 167559547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).