2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine

C143H151F8N33O7S2 — CID 159077625

About 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine

2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 159077625) has the molecular formula C143H151F8N33O7S2 and a molecular weight of 2660.12 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine
• PubChem CID: 159077625
• Molecular Formula: C143H151F8N33O7S2
• Molecular Weight: 2660.12 g/mol
• Exact Mass: 2658.18
• IUPAC Name: 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine
• SMILES: C=C1C=CC(=O)N1C.CN1C(=O)c2ccccc2C1=O.Cc1c(C)c2cccnc2c2ncccc12.Cc1cc(C(F)(F)F)c(C(C)(F)F)c(C(F)(F)F)c1.Cc1cc2c(ccn2O)cn1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C)nc(C)n1.Cc1nc2c3ccccc3c3ccccc3c2n1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C17H14N2.C16H13N3.C14H12N2.C11H8F8.C9H8N2O.C9H7NO2.C8H8N2O.C7H9N.C6H9N3.4C6H8N2.C6H7NO.2C4H6N2O.2C4H6N2S/c1-11-18-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(16)19(11)2;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-5-3-6(10(14,15)16)8(9(2,12)13)7(4-5)11(17,18)19;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-6-4-8-7(5-9-6)2-3-10(8)11;1-6-3-7(2)5-8-4-6;1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(8)7(5)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-10H,1-2H3;2-11H,1H3;3-8H,1-2H3;3-4H,1-2H3;2-6H,1H3;2-5H,1H3;2-5,11H,1H3;3-5H,1-2H3;1-3H3;4*3-4H,1-2H3;3-4H,1H2,2H3;4*1-2H3
• InChIKey: KALIZGDUXSLLSJ-UHFFFAOYSA-N
• XLogP: 31.87
• TPSA: 501.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 4
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.12
LogP ≤ 5	31.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine?

The IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine (CID 159077625) is 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine.

What is the SMILES notation for 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine?

The canonical SMILES for 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine is C=C1C=CC(=O)N1C.CN1C(=O)c2ccccc2C1=O.Cc1c(C)c2cccnc2c2ncccc12.Cc1cc(C(F)(F)F)c(C(C)(F)F)c(C(F)(F)F)c1.Cc1cc2c(ccn2O)cn1.Cc1ccc(C)nn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C)nc(C)n1.Cc1nc2c3ccccc3c3ccccc3c2n1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine?

The InChIKey is KALIZGDUXSLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.C16H13N3.C14H12N2.C11H8F8.C9H8N2O.C9H7NO2.C8H8N2O.C7H9N.C6H9N3.4C6H8N2.C6H7NO.2C4H6N2O.2C4H6N2S/c1-11-18-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(16)19(11)2;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-5-3-6(10(14,15)16)8(9(2,12)13)7(4-5)11(17,18)19;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-6-4-8-7(5-9-6)2-3-10(8)11;1-6-3-7(2)5-8-4-6;1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(8)7(5)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-10H,1-2H3;2-11H,1H3;3-8H,1-2H3;3-4H,1-2H3;2-6H,1H3;2-5H,1H3;2-5,11H,1H3;3-5H,1-2H3;1-3H3;4*3-4H,1-2H3;3-4H,1H2,2H3;4*1-2H3.

What are the key properties of 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine?

2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 2660.12 g/mol, XLogP of 31.87, 4 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-5-methyl-1,3-bis(trifluoromethyl)benzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,3-dimethylphenanthro[9,10-d]imidazole;5,6-dimethyl-1,10-phenanthroline;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;1-hydroxy-6-methylpyrrolo[3,2-c]pyridine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylisoindole-1,3-dione;1-methyl-5-methylidenepyrrol-2-one;5-methyl-3-phenyl-1,2,4-oxadiazole;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 159077625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).