1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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

C147H179Cl7F24N8O3S4 — CID 157242995

About 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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

1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 157242995) has the molecular formula C147H179Cl7F24N8O3S4 and a molecular weight of 2938.49 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;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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: 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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: 157242995
• Molecular Formula: C147H179Cl7F24N8O3S4
• Molecular Weight: 2938.49 g/mol
• Exact Mass: 2933.04
• IUPAC Name: 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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)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)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(OC(F)(F)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)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1
• InChI: InChI=1S/C13H20.C12H20N2.C11H11ClO.C10H11F3O.2C10H11F3.C10H12N2.2C9H10Cl2.C9H11Cl.C8H9F3O.C8H9F3S.C7H9ClS.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;1-7(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;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;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/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: AVKQVHRPXLJREG-UHFFFAOYSA-N
• XLogP: 57.40
• TPSA: 114.75 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2938.49
LogP ≤ 5	57.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 157242995) is 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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)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)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(OC(F)(F)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)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1.

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;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 AVKQVHRPXLJREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H20N2.C11H11ClO.C10H11F3O.2C10H11F3.C10H12N2.2C9H10Cl2.C9H11Cl.C8H9F3O.C8H9F3S.C7H9ClS.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;1-7(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;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;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/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;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 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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?

1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 2938.49 g/mol, XLogP of 57.40, 18 rotatable bonds, 0 hydrogen bond donors, and 15 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;2-chloro-5-propan-2-ylthiophene;3-cyclohexyl-1-propan-2-ylpyrazole;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;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 157242995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).