1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C100H151ClF13N9S2 — CID 162067574

About 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 162067574) has the molecular formula C100H151ClF13N9S2 and a molecular weight of 1825.93 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 Name: 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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: 162067574
• Molecular Formula: C100H151ClF13N9S2
• Molecular Weight: 1825.93 g/mol
• Exact Mass: 1824.10
• IUPAC Name: 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
• SMILES: CC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1.Cc1ccc(C(C)C)nc1
• InChI: InChI=1S/C11H24N2.C11H21N.C10H11F3.C10H22N2.C9H11Cl.C9H11F.C9H13N.C9H12.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;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/h9-11H,6-8H2,1-5H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;9-10H,5-8H2,1-4H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
• InChIKey: ZAQQXUBODRKQBY-UHFFFAOYSA-N
• XLogP: 31.14
• TPSA: 59.80 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1825.93
LogP ≤ 5	31.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 162067574) is 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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)C1=CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1.Cc1ccc(C(C)C)nc1.

What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 ZAQQXUBODRKQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C11H21N.C10H11F3.C10H22N2.C9H11Cl.C9H11F.C9H13N.C9H12.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;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/h9-11H,6-8H2,1-5H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;9-10H,5-8H2,1-4H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?

1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 1825.93 g/mol, XLogP of 31.14, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;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 162067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).