bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene

C146H177Cl2F7N18O6S4 — CID 158820701

About bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene

bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene (PubChem CID 158820701) has the molecular formula C146H177Cl2F7N18O6S4 and a molecular weight of 2612.30 g/mol. Its IUPAC name is bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene.

Molecular Properties

• Compound Name: bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene
• PubChem CID: 158820701
• Molecular Formula: C146H177Cl2F7N18O6S4
• Molecular Weight: 2612.30 g/mol
• Exact Mass: 2609.22
• IUPAC Name: bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene
• SMILES: CC(C)c1c(F)cc(F)cc1F.CC(C)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2nc(C(C)C)no2)cc1
• InChI: InChI=1S/C12H14N2O.C12H14N2S.C12H13NS.C11H10F3N3O.C11H12N2O.C11H12N2S.2C11H16O.2C10H13Cl.C10H13F.C10H11N3O.C9H9F3.C6H11N3S/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-8(2)10-5-6-11(12-4)9(3)7-10;3*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-5(2)9-7(11)3-6(10)4-8(9)12;1-4(2)5-7-8-6(10)9(5)3/h2*4-8H,1-3H3;3-9H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;2*5-8H,1-4H3;3*4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;4H,1-3H3,(H,8,10)
• InChIKey: IVVFGYUFBAYIEC-UHFFFAOYSA-N
• XLogP: 44.34
• TPSA: 297.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.30
LogP ≤ 5	44.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene?

The IUPAC name of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene (CID 158820701) is bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene.

What is the SMILES notation for bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene?

The canonical SMILES for bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene is CC(C)c1c(F)cc(F)cc1F.CC(C)c1n[nH]c(=S)n1C.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(C(C)C)ccc1F.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2nc(C(C)C)no2)cc1.

What is the InChIKey of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene?

The InChIKey is IVVFGYUFBAYIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C12H14N2S.C12H13NS.C11H10F3N3O.C11H12N2O.C11H12N2S.2C11H16O.2C10H13Cl.C10H13F.C10H11N3O.C9H9F3.C6H11N3S/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-8(2)10-5-6-11(12-4)9(3)7-10;3*1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-5(2)9-7(11)3-6(10)4-8(9)12;1-4(2)5-7-8-6(10)9(5)3/h2*4-8H,1-3H3;3-9H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;2*5-8H,1-4H3;3*4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;4H,1-3H3,(H,8,10).

What are the key properties of bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene?

bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene has a molecular weight of 2612.30 g/mol, XLogP of 44.34, 23 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole;1,3,5-trifluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 158820701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).