cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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

C154H225F6N9O7S2 — CID 158114812

About cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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 158114812) has the molecular formula C154H225F6N9O7S2 and a molecular weight of 2492.67 g/mol. Its IUPAC name is cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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: 158114812
• Molecular Formula: C154H225F6N9O7S2
• Molecular Weight: 2492.67 g/mol
• Exact Mass: 2490.69
• IUPAC Name: cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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(=O)Cc1ccc(F)cc1F.CC(C)C(C)C.CC(C)C(N)=O.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.CCCCC(C)C.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(C(C)C)cc1F.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1nc(C)c(C(C)C)s1.Cc1oncc1C(C)C
• InChI: InChI=1S/C13H14F2O.C10H12F2.2C10H13F.C10H11NS.C10H12O2.C10H14O.C10H14.C9H13N.C9H12.C8H13NS.2C7H12N2.C7H11NO.C7H10O.C7H16.C6H14.C4H9NO/c1-9(2)3-6-12(16)7-10-4-5-11(14)8-13(10)15;1-6(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)10-6-4-5-9(3)7-10;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;1-3(2)4(5)6/h3-6,8-9H,7H2,1-2H3;4-6H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-7H,10H2,1-2H3;3-8H,1-2H3;5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;7H,4-6H2,1-3H3;5-6H,1-4H3;3H,1-2H3,(H2,5,6)/b6-3+
• InChIKey: FQWGSKIPXKKKIS-RIUDTOHCSA-N
• XLogP: 46.04
• TPSA: 214.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.67
LogP ≤ 5	46.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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 158114812) is cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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(=O)Cc1ccc(F)cc1F.CC(C)C(C)C.CC(C)C(N)=O.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.CCCCC(C)C.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(F)c(C(C)C)cc1F.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1nc(C)c(C(C)C)s1.Cc1oncc1C(C)C.

What is the InChIKey of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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 FQWGSKIPXKKKIS-RIUDTOHCSA-N. The full InChI is InChI=1S/C13H14F2O.C10H12F2.2C10H13F.C10H11NS.C10H12O2.C10H14O.C10H14.C9H13N.C9H12.C8H13NS.2C7H12N2.C7H11NO.C7H10O.C7H16.C6H14.C4H9NO/c1-9(2)3-6-12(16)7-10-4-5-11(14)8-13(10)15;1-6(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)10-6-4-5-9(3)7-10;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;1-3(2)4(5)6/h3-6,8-9H,7H2,1-2H3;4-6H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-7H,10H2,1-2H3;3-8H,1-2H3;5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;7H,4-6H2,1-3H3;5-6H,1-4H3;3H,1-2H3,(H2,5,6)/b6-3+;;;;;;;;;;;;;;;;;.

What are the key properties of cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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 2492.67 g/mol, XLogP of 46.04, 24 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;1,4-difluoro-2-methyl-5-propan-2-ylbenzene;(E)-1-(2,4-difluorophenyl)-5-methylhex-3-en-2-one;2,3-dimethylbutane;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylhexane;2-methylpropanamide;1-methyl-3-propan-2-ylbenzene;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 158114812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).