bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine

C134H178Cl9F11N12O7 — CID 158103984

About bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine

bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine (PubChem CID 158103984) has the molecular formula C134H178Cl9F11N12O7 and a molecular weight of 2597.03 g/mol. Its IUPAC name is bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine
• PubChem CID: 158103984
• Molecular Formula: C134H178Cl9F11N12O7
• Molecular Weight: 2597.03 g/mol
• Exact Mass: 2591.10
• IUPAC Name: bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine
• SMILES: CC(C)COc1ccc(C(C)C)cc1Cl.CC(C)COc1ncc(C(C)C)cc1Cl.CC(C)COc1ncc(C(C)C)cc1Cl.CC(C)Oc1ncc(C(C)C)cc1Cl.CC(C)c1cc(F)c(Cl)cc1-c1ccnnc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccnc(N2CCCCC2)n1.CC(C)c1cnc(OCC(F)(F)C(F)F)c(Cl)c1.CC(C)c1nccnc1C(C)C.COc1ccc(C(C)C)cc1Cl.Cc1cc(C(C)C)cnc1OCC(F)(F)C(F)F
• InChI: InChI=1S/C13H12ClFN2.C13H19ClO.2C12H18ClNO.C12H15F4NO.C12H19N3.C11H12ClF4NO.C11H16ClNO.C10H13ClO.C10H16N2.2C9H10ClF/c1-8(2)10-6-13(15)12(14)5-11(10)9-3-4-16-17-7-9;1-9(2)8-15-13-6-5-11(10(3)4)7-12(13)14;2*1-8(2)7-15-12-11(13)5-10(6-14-12)9(3)4;1-7(2)9-4-8(3)10(17-5-9)18-6-12(15,16)11(13)14;1-10(2)11-6-7-13-12(14-11)15-8-4-3-5-9-15;1-6(2)7-3-8(12)9(17-4-7)18-5-11(15,16)10(13)14;1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-6(2)7-3-4-9(11)8(10)5-7/h3-8H,1-2H3;5-7,9-10H,8H2,1-4H3;2*5-6,8-9H,7H2,1-4H3;4-5,7,11H,6H2,1-3H3;6-7,10H,3-5,8-9H2,1-2H3;3-4,6,10H,5H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*3-6H,1-2H3
• InChIKey: FPPLTAKJUFAEPW-UHFFFAOYSA-N
• XLogP: 43.91
• TPSA: 209.64 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2597.03
LogP ≤ 5	43.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine?

The IUPAC name of bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine (CID 158103984) is bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine.

What is the SMILES notation for bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine?

The canonical SMILES for bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine is CC(C)COc1ccc(C(C)C)cc1Cl.CC(C)COc1ncc(C(C)C)cc1Cl.CC(C)COc1ncc(C(C)C)cc1Cl.CC(C)Oc1ncc(C(C)C)cc1Cl.CC(C)c1cc(F)c(Cl)cc1-c1ccnnc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccnc(N2CCCCC2)n1.CC(C)c1cnc(OCC(F)(F)C(F)F)c(Cl)c1.CC(C)c1nccnc1C(C)C.COc1ccc(C(C)C)cc1Cl.Cc1cc(C(C)C)cnc1OCC(F)(F)C(F)F.

What is the InChIKey of bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine?

The InChIKey is FPPLTAKJUFAEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2.C13H19ClO.2C12H18ClNO.C12H15F4NO.C12H19N3.C11H12ClF4NO.C11H16ClNO.C10H13ClO.C10H16N2.2C9H10ClF/c1-8(2)10-6-13(15)12(14)5-11(10)9-3-4-16-17-7-9;1-9(2)8-15-13-6-5-11(10(3)4)7-12(13)14;2*1-8(2)7-15-12-11(13)5-10(6-14-12)9(3)4;1-7(2)9-4-8(3)10(17-5-9)18-6-12(15,16)11(13)14;1-10(2)11-6-7-13-12(14-11)15-8-4-3-5-9-15;1-6(2)7-3-8(12)9(17-4-7)18-5-11(15,16)10(13)14;1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-10(8(3)4)12-6-5-11-9;2*1-6(2)7-3-4-9(11)8(10)5-7/h3-8H,1-2H3;5-7,9-10H,8H2,1-4H3;2*5-6,8-9H,7H2,1-4H3;4-5,7,11H,6H2,1-3H3;6-7,10H,3-5,8-9H2,1-2H3;3-4,6,10H,5H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*3-6H,1-2H3.

What are the key properties of bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine?

bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine has a molecular weight of 2597.03 g/mol, XLogP of 43.91, 35 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-1-fluoro-4-propan-2-ylbenzene);4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine;2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-1-(2-methylpropoxy)-4-propan-2-ylbenzene;bis(3-chloro-2-(2-methylpropoxy)-5-propan-2-ylpyridine);3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;3-chloro-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2,3-di(propan-2-yl)pyrazine;3-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;2-piperidin-1-yl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 158103984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).