2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C129H160F23N13O5S5 — CID 161498121

IUPAC2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)N1CCc2[nH]c3cc(F)ccc3c2C1.CC(C)N1CCc2c([nH]c3c(F)c(F)ccc23)C1.CC(C)N1CCc2c([nH]c3cc(F)ccc23)C1.CC(C)N1CCn2c(nc3cc(F)ccc32)C1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1ccc2c(c1)CC(C(F)(F)F)O2.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1.Cc1cc(C(C)C)sc1C(F)(F)F
InChIInChI=1S/C14H16F2N2.2C14H17FN2.C13H16FN3.C12H13F3O.C11H18O.C11H16S.C9H10F3NO3S.C9H11F3S.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-8(2)18-6-5-9-10-3-4-11(15)13(16)14(10)17-12(9)7-18;1-9(2)17-6-5-13-12(8-17)11-4-3-10(15)7-14(11)16-13;1-9(2)17-6-5-12-11-4-3-10(15)7-13(11)16-14(12)8-17;1-9(2)16-5-6-17-12-4-3-10(14)7-11(12)15-13(17)8-16;1-7(2)8-3-4-10-9(5-8)6-11(16-10)12(13,14)15;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)7-3-4-8(13-5-7)16-17(14,15)9(10,11)12;1-5(2)7-4-6(3)8(13-7)9(10,11)12;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h3-4,8,17H,5-7H2,1-2H3;2*3-4,7,9,16H,5-6,8H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-5,7,11H,6H2,1-2H3;6-8H,1-5H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyWGMFLRRDDBKWJY-UHFFFAOYSA-N
MW2570.07 g/mol
LogP39.18
Rot. Bonds14

About 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 161498121) has the molecular formula C129H160F23N13O5S5 and a molecular weight of 2570.07 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID161498121
Molecular FormulaC129H160F23N13O5S5
Molecular Weight2570.07 g/mol
Exact Mass2568.09
IUPAC Name2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)N1CCc2[nH]c3cc(F)ccc3c2C1.CC(C)N1CCc2c([nH]c3c(F)c(F)ccc23)C1.CC(C)N1CCc2c([nH]c3cc(F)ccc23)C1.CC(C)N1CCn2c(nc3cc(F)ccc32)C1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1ccc2c(c1)CC(C(F)(F)F)O2.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1.Cc1cc(C(C)C)sc1C(F)(F)F
InChIInChI=1S/C14H16F2N2.2C14H17FN2.C13H16FN3.C12H13F3O.C11H18O.C11H16S.C9H10F3NO3S.C9H11F3S.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-8(2)18-6-5-9-10-3-4-11(15)13(16)14(10)17-12(9)7-18;1-9(2)17-6-5-13-12(8-17)11-4-3-10(15)7-14(11)16-13;1-9(2)17-6-5-12-11-4-3-10(15)7-13(11)16-14(12)8-17;1-9(2)16-5-6-17-12-4-3-10(14)7-11(12)15-13(17)8-16;1-7(2)8-3-4-10-9(5-8)6-11(16-10)12(13,14)15;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)7-3-4-8(13-5-7)16-17(14,15)9(10,11)12;1-5(2)7-4-6(3)8(13-7)9(10,11)12;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h3-4,8,17H,5-7H2,1-2H3;2*3-4,7,9,16H,5-6,8H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-5,7,11H,6H2,1-2H3;6-8H,1-5H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeyWGMFLRRDDBKWJY-UHFFFAOYSA-N
XLogP39.18
TPSA187.49 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002570.07
LogP ≤ 539.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Related Compounds

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CID 158268952
CID 158268952
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
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1-(difluoromethoxy)-4-propan-2-ylbenzene;N,N-dimethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-amine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;2,4-di(propan-2-yl)oxane;1-ethyl-4-propan-2-ylpyrazole;(5-fluoro-2-propan-2-ylphenyl)methanol;1-isocyano-4-propan-2-ylbenzene;3-methyl-1,4-di(propan-2-yl)-2,6-dihydropyridin-3-ol;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5-propan-2-ylpyrimidin-2-yl) trifluoromethanesulfonate;4-propan-2-yl-1,3-thiazole;2-(5-propan-2-ylthiophen-2-yl)oxolane;2-propan-2-yl-5-(2,2,2-trifluoroethoxy)thiophene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 158366447
bromomethane;2,5-dimethylfuran;1,4-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;(3R)-3-fluoro-1-methylpyrrolidine;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;1-methylimidazole;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane;1,2,5-trimethylpyrrole
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N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;4-(2,2-dimethylpropoxy)benzamide;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
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N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide
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2,5-dimethylfuran;1,4-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;(3R)-3-fluoro-1-methylpyrrolidine;(3S)-3-fluoro-1-methylpyrrolidine;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;1-methylimidazole;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,2,5-trimethylpyrrole
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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
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 161043620
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 161498121) is 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is CC(C)N1CCc2[nH]c3cc(F)ccc3c2C1.CC(C)N1CCc2c([nH]c3c(F)c(F)ccc23)C1.CC(C)N1CCc2c([nH]c3cc(F)ccc23)C1.CC(C)N1CCn2c(nc3cc(F)ccc32)C1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1ccc2c(c1)CC(C(F)(F)F)O2.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1.Cc1cc(C(C)C)sc1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is WGMFLRRDDBKWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2.2C14H17FN2.C13H16FN3.C12H13F3O.C11H18O.C11H16S.C9H10F3NO3S.C9H11F3S.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-8(2)18-6-5-9-10-3-4-11(15)13(16)14(10)17-12(9)7-18;1-9(2)17-6-5-13-12(8-17)11-4-3-10(15)7-14(11)16-13;1-9(2)17-6-5-12-11-4-3-10(15)7-13(11)16-14(12)8-17;1-9(2)16-5-6-17-12-4-3-10(14)7-11(12)15-13(17)8-16;1-7(2)8-3-4-10-9(5-8)6-11(16-10)12(13,14)15;1-8(2)9-6-7-10(12-9)11(3,4)5;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)7-3-4-8(13-5-7)16-17(14,15)9(10,11)12;1-5(2)7-4-6(3)8(13-7)9(10,11)12;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h3-4,8,17H,5-7H2,1-2H3;2*3-4,7,9,16H,5-6,8H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-5,7,11H,6H2,1-2H3;6-8H,1-5H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 2570.07 g/mol, XLogP of 39.18, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-ylfuran;7,8-difluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;8-fluoro-2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole;7-fluoro-2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole;7-fluoro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-methyl-5-propan-2-yl-2-(trifluoromethyl)thiophene;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydro-1-benzofuran;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 161498121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).