1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one

C134H190ClF10N7O9S2 — CID 162068181

About 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one

1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one (PubChem CID 162068181) has the molecular formula C134H190ClF10N7O9S2 and a molecular weight of 2332.60 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
• PubChem CID: 162068181
• Molecular Formula: C134H190ClF10N7O9S2
• Molecular Weight: 2332.60 g/mol
• Exact Mass: 2330.36
• IUPAC Name: 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
• SMILES: C=C(CCc1cc(C)nn1C)C(C)C.C=C(CCc1ccccc1C(F)(F)F)C(C)C.C=C(CCc1ccnn1CC(F)(F)F)C(C)C.C=C(CCc1scnc1C)C(C)C.C=C(c1cc2ccccc2n1C)C(C)C.CC(C)C(=O)CCC(C)(F)F.CC(C)C(=O)CCCC(C)(F)F.CC(C)C(=O)CCc1ccc(Cl)cc1.CC(C)C(=O)CCc1ccccc1.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)CCc1nccs1.CC(C)C(=O)COc1ccccc1
• InChI: InChI=1S/C14H17F3.C14H17N.C12H15ClO.C12H17F3N2.C12H20N2.C12H16O.C11H17NS.C11H14O2.C10H14O2.C9H16F2O.C9H13NOS.C8H14F2O/c1-10(2)11(3)8-9-12-6-4-5-7-13(12)14(15,16)17;1-10(2)11(3)14-9-12-7-5-6-8-13(12)15(14)4;1-9(2)12(14)8-5-10-3-6-11(13)7-4-10;1-9(2)10(3)4-5-11-6-7-16-17(11)8-12(13,14)15;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;1-10(2)12(13)9-8-11-6-4-3-5-7-11;1-8(2)9(3)5-6-11-10(4)12-7-13-11;1-9(2)11(12)8-13-10-6-4-3-5-7-10;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)8(12)5-4-6-9(3,10)11;1-7(2)8(11)3-4-9-10-5-6-12-9;1-6(2)7(11)4-5-8(3,9)10/h4-7,10H,3,8-9H2,1-2H3;5-10H,3H2,1-2,4H3;3-4,6-7,9H,5,8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;3-7,10H,8-9H2,1-2H3;7-8H,3,5-6H2,1-2,4H3;3-7,9H,8H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,4-6H2,1-3H3;5-7H,3-4H2,1-2H3;6H,4-5H2,1-3H3
• InChIKey: ZASNAXJWNAKDJX-UHFFFAOYSA-N
• XLogP: 37.81
• TPSA: 208.21 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 48
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2332.60
LogP ≤ 5	37.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?

The IUPAC name of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one (CID 162068181) is 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one.

What is the SMILES notation for 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?

The canonical SMILES for 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one is C=C(CCc1cc(C)nn1C)C(C)C.C=C(CCc1ccccc1C(F)(F)F)C(C)C.C=C(CCc1ccnn1CC(F)(F)F)C(C)C.C=C(CCc1scnc1C)C(C)C.C=C(c1cc2ccccc2n1C)C(C)C.CC(C)C(=O)CCC(C)(F)F.CC(C)C(=O)CCCC(C)(F)F.CC(C)C(=O)CCc1ccc(Cl)cc1.CC(C)C(=O)CCc1ccccc1.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)CCc1nccs1.CC(C)C(=O)COc1ccccc1.

What is the InChIKey of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?

The InChIKey is ZASNAXJWNAKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3.C14H17N.C12H15ClO.C12H17F3N2.C12H20N2.C12H16O.C11H17NS.C11H14O2.C10H14O2.C9H16F2O.C9H13NOS.C8H14F2O/c1-10(2)11(3)8-9-12-6-4-5-7-13(12)14(15,16)17;1-10(2)11(3)14-9-12-7-5-6-8-13(12)15(14)4;1-9(2)12(14)8-5-10-3-6-11(13)7-4-10;1-9(2)10(3)4-5-11-6-7-16-17(11)8-12(13,14)15;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;1-10(2)12(13)9-8-11-6-4-3-5-7-11;1-8(2)9(3)5-6-11-10(4)12-7-13-11;1-9(2)11(12)8-13-10-6-4-3-5-7-10;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)8(12)5-4-6-9(3,10)11;1-7(2)8(11)3-4-9-10-5-6-12-9;1-6(2)7(11)4-5-8(3,9)10/h4-7,10H,3,8-9H2,1-2H3;5-10H,3H2,1-2,4H3;3-4,6-7,9H,5,8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;3-7,10H,8-9H2,1-2H3;7-8H,3,5-6H2,1-2,4H3;3-7,9H,8H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,4-6H2,1-3H3;5-7H,3-4H2,1-2H3;6H,4-5H2,1-3H3.

What are the key properties of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?

1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one has a molecular weight of 2332.60 g/mol, XLogP of 37.81, 48 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;7,7-difluoro-2-methyloctan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-methyl-2-(3-methylbut-1-en-2-yl)indole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;3-methyl-1-phenoxybutan-2-one;4-methyl-1-phenylpentan-3-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one is sourced from PubChem (CID 162068181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).