1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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

C173H215Cl6F22N9O3S6 — CID 158331037

About 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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 158331037) has the molecular formula C173H215Cl6F22N9O3S6 and a molecular weight of 3291.76 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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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: 158331037
• Molecular Formula: C173H215Cl6F22N9O3S6
• Molecular Weight: 3291.76 g/mol
• Exact Mass: 3286.31
• IUPAC Name: 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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)N1CCc2ccccc2C1.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(C2CCCCC2)s1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.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)c1nc2cc(Cl)ccc2s1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.Cc1ccc2c(c1)CCN(C(C)C)C2
• InChI: InChI=1S/C13H19N.C13H20S.C13H20.C12H17N.C11H11ClO.C10H10ClNS.C10H11F3O.C10H11F3.C10H12N2.C9H10Cl2.C9H11Cl.C9H11F.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)14-7-6-12-8-11(3)4-5-13(12)9-14;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-7(2)8-3-5-9(6-4-8)14-10(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)7-3-4-8(10)9(11)5-7;2*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/h4-5,8,10H,6-7,9H2,1-3H3;8-11H,3-7H2,1-2H3;6-10H,1-5H3;3-6,10H,7-9H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: GQAAIMBGHOSBIZ-UHFFFAOYSA-N
• XLogP: 63.10
• TPSA: 116.30 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3291.76
LogP ≤ 5	63.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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 158331037) is 1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-yl-1-benzofuran;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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)N1CCc2ccccc2C1.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(C2CCCCC2)s1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.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)c1nc2cc(Cl)ccc2s1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.Cc1ccc2c(c1)CCN(C(C)C)C2.

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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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 GQAAIMBGHOSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C13H20S.C13H20.C12H17N.C11H11ClO.C10H10ClNS.C10H11F3O.C10H11F3.C10H12N2.C9H10Cl2.C9H11Cl.C9H11F.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)14-7-6-12-8-11(3)4-5-13(12)9-14;1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-7(2)8-3-5-9(6-4-8)14-10(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)7-3-4-8(10)9(11)5-7;2*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/h4-5,8,10H,6-7,9H2,1-3H3;8-11H,3-7H2,1-2H3;6-10H,1-5H3;3-6,10H,7-9H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;2*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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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 3291.76 g/mol, XLogP of 63.10, 20 rotatable bonds, 0 hydrogen bond donors, and 18 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;5-chloro-2-propan-2-yl-1,3-benzothiazole;2-chloro-5-propan-2-ylthiophene;2-cyclohexyl-5-propan-2-ylthiophene;1,2-dichloro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(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 158331037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).