1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C203H276Cl4F26N12O7S9 — CID 159180534

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1CCN(C(C)C)C1.CC(C)C1COC(C(C)C)C1.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(C2CCCO2)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)ccc1F
InChIInChI=1S/C13H20.C12H20N2.C11H11ClO.C11H16OS.C10H11F3O.2C10H11F3.C10H12N2.C10H21N.C10H20O.C9H11Cl.C9H10F3NO3S.C9H12FN.C9H11F.C9H15NS.C8H9F3S.C8H12S.2C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-8(13-5-7)16-17(14,15)9(10,11)12;1-6(2)9-5-4-8(10)7(3)11-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)8-4-7(3)5-9-8;2*1-5(2)6-3-4-7(8)9-6;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyKMVGATJRALXDGC-UHFFFAOYSA-N
MW3920.88 g/mol
LogP72.67
Rot. Bonds30

About 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 159180534) has the molecular formula C203H276Cl4F26N12O7S9 and a molecular weight of 3920.88 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID159180534
Molecular FormulaC203H276Cl4F26N12O7S9
Molecular Weight3920.88 g/mol
Exact Mass3915.74
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1CCN(C(C)C)C1.CC(C)C1COC(C(C)C)C1.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(C2CCCO2)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)ccc1F
InChIInChI=1S/C13H20.C12H20N2.C11H11ClO.C11H16OS.C10H11F3O.2C10H11F3.C10H12N2.C10H21N.C10H20O.C9H11Cl.C9H10F3NO3S.C9H12FN.C9H11F.C9H15NS.C8H9F3S.C8H12S.2C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-8(13-5-7)16-17(14,15)9(10,11)12;1-6(2)9-5-4-8(10)7(3)11-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)8-4-7(3)5-9-8;2*1-5(2)6-3-4-7(8)9-6;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyKMVGATJRALXDGC-UHFFFAOYSA-N
XLogP72.67
TPSA205.35 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003920.88
LogP ≤ 572.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 159180534) is 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is CC(C)C1CCN(C(C)C)C1.CC(C)C1COC(C(C)C)C1.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(C2CCCO2)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)nc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1.Cc1csc(C(C)C)c1.Cc1nc(C(C)C)ccc1F.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is KMVGATJRALXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H20N2.C11H11ClO.C11H16OS.C10H11F3O.2C10H11F3.C10H12N2.C10H21N.C10H20O.C9H11Cl.C9H10F3NO3S.C9H12FN.C9H11F.C9H15NS.C8H9F3S.C8H12S.2C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)10-5-6-11(13-10)9-4-3-7-12-9;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-8(13-5-7)16-17(14,15)9(10,11)12;1-6(2)9-5-4-8(10)7(3)11-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)8-5-11-9(10-8)7(3)4;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)8-4-7(3)5-9-8;2*1-5(2)6-3-4-7(8)9-6;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;3-7H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;5-7H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 3920.88 g/mol, XLogP of 72.67, 30 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;bis(2-chloro-5-propan-2-ylthiophene);3-cyclohexyl-1-propan-2-ylpyrazole;2,4-di(propan-2-yl)oxolane;1,3-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;3-fluoro-2-methyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylthiophene;2-propan-2-ylindazole;(5-propan-2-yl-2-pyridinyl) trifluoromethanesulfonate;2-(5-propan-2-ylthiophen-2-yl)oxolane;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 159180534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).