cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran

C137H204F4N8O6S2 — CID 161426255

About cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran

cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran (PubChem CID 161426255) has the molecular formula C137H204F4N8O6S2 and a molecular weight of 2199.31 g/mol. Its IUPAC name is cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran.

Molecular Properties

• Compound Name: cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran
• PubChem CID: 161426255
• Molecular Formula: C137H204F4N8O6S2
• Molecular Weight: 2199.31 g/mol
• Exact Mass: 2197.53
• IUPAC Name: cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran
• SMILES: CC(C)C(C)C.CC(C)c1ccc(N)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cn(C)cn1.CC(C)c1nccn1C.CC1=C(C(C)C)SC(C)N1.CCCCC(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(C(C)C)cc1F.Cc1ccc(F)cc1C(C)C.Cc1oncc1C(C)C
• InChI: InChI=1S/C10H12F2.2C10H13F.C10H11NS.C10H12O2.2C10H14O.C9H13N.C9H12.C8H15NS.2C7H12N2.C7H11NO.C7H10O.C7H16.C6H14/c1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(3)9-7(4)10-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-8-9-6(7)3;1-6(2)7-4-3-5-8-7;1-4-5-6-7(2)3;1-5(2)6(3)4/h4-6H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;2*4-8H,1-3H3;3-7H,10H2,1-2H3;3-8H,1-2H3;5,7,9H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;7H,4-6H2,1-3H3;5-6H,1-4H3
• InChIKey: VXJZPGXUXQGEKQ-UHFFFAOYSA-N
• XLogP: 41.99
• TPSA: 162.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.31
LogP ≤ 5	41.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran?

The IUPAC name of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran (CID 161426255) is cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran.

What is the SMILES notation for cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran?

The canonical SMILES for cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran is CC(C)C(C)C.CC(C)c1ccc(N)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cn(C)cn1.CC(C)c1nccn1C.CC1=C(C(C)C)SC(C)N1.CCCCC(C)C.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(C(C)C)cc1F.Cc1ccc(F)cc1C(C)C.Cc1oncc1C(C)C.

What is the InChIKey of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran?

The InChIKey is VXJZPGXUXQGEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2.2C10H13F.C10H11NS.C10H12O2.2C10H14O.C9H13N.C9H12.C8H15NS.2C7H12N2.C7H11NO.C7H10O.C7H16.C6H14/c1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(3)9-7(4)10-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-8-9-6(7)3;1-6(2)7-4-3-5-8-7;1-4-5-6-7(2)3;1-5(2)6(3)4/h4-6H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;2*4-8H,1-3H3;3-7H,10H2,1-2H3;3-8H,1-2H3;5,7,9H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;7H,4-6H2,1-3H3;5-6H,1-4H3.

What are the key properties of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran?

cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran has a molecular weight of 2199.31 g/mol, XLogP of 41.99, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-propan-2-ylaniline;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran is sourced from PubChem (CID 161426255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).