bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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

C160H231Cl3F22N8O2S4 — CID 159247608

About bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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

bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 159247608) has the molecular formula C160H231Cl3F22N8O2S4 and a molecular weight of 2951.24 g/mol. Its IUPAC name is bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 Name: bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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: 159247608
• Molecular Formula: C160H231Cl3F22N8O2S4
• Molecular Weight: 2951.24 g/mol
• Exact Mass: 2947.58
• IUPAC Name: bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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
• SMILES: CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1COC(C(C)C)C1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1
• InChI: InChI=1S/2C13H20.C12H20N2.C11H23N.2C10H11F3.C10H21N.C10H20O.2C9H11Cl.C9H11F.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c2*1-10(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;1-9(2)11-6-5-7-12(8-11)10(3)4;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)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;3*1-7(2)8-3-5-9(10)6-4-8;2*1-5(2)6-3-4-7(12-6)8(9,10)11;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/h2*6-10H,1-5H3;8-11H,3-7H2,1-2H3;9-11H,5-8H2,1-4H3;2*3-7H,1-2H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;3*3-7H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: KUWLLYPMOGZBPE-UHFFFAOYSA-N
• XLogP: 56.99
• TPSA: 90.27 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2951.24
LogP ≤ 5	56.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 159247608) is bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1COC(C(C)C)C1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1.

What is the InChIKey of bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 KUWLLYPMOGZBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20.C12H20N2.C11H23N.2C10H11F3.C10H21N.C10H20O.2C9H11Cl.C9H11F.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c2*1-10(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;1-9(2)11-6-5-7-12(8-11)10(3)4;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)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;3*1-7(2)8-3-5-9(10)6-4-8;2*1-5(2)6-3-4-7(12-6)8(9,10)11;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/h2*6-10H,1-5H3;8-11H,3-7H2,1-2H3;9-11H,5-8H2,1-4H3;2*3-7H,1-2H3;8-10H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;3*3-7H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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?

bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 2951.24 g/mol, XLogP of 56.99, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-tert-butyl-4-propan-2-ylbenzene);bis(1-chloro-4-propan-2-ylbenzene);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)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-fluoro-4-propan-2-ylbenzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;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 159247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).