1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)

C133H156F7N5O4S — CID 158789426

About 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)

1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene) (PubChem CID 158789426) has the molecular formula C133H156F7N5O4S and a molecular weight of 2053.79 g/mol. Its IUPAC name is 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene).

Molecular Properties

• Compound Name: 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)
• PubChem CID: 158789426
• Molecular Formula: C133H156F7N5O4S
• Molecular Weight: 2053.79 g/mol
• Exact Mass: 2052.18
• IUPAC Name: 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)
• SMILES: COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccccc1C.Cc1cc(F)cc(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1cccc(F)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn(C)n1.Cc1nccs1
• InChI: InChI=1S/C9H12O.C8H9F.2C8H10O.4C8H10.2C7H6F2.2C7H7F.2C7H8.2C6H7N.C5H8N2.C5H6O.C4H5NS/c1-7-4-5-8(2)9(6-7)10-3;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;4*1-7-3-5-8(2)6-4-7;1-5-2-6(8)4-7(9)3-5;1-5-3-2-4-6(8)7(5)9;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2*2-4H,1H3;2*2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3
• InChIKey: ISBVZXFAOQHPRY-UHFFFAOYSA-N
• XLogP: 37.33
• TPSA: 97.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2053.79
LogP ≤ 5	37.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)?

The IUPAC name of 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene) (CID 158789426) is 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene).

What is the SMILES notation for 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)?

The canonical SMILES for 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene) is COc1cc(C)ccc1C.COc1ccc(C)cc1.COc1ccccc1C.Cc1cc(F)cc(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1cccc(F)c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn(C)n1.Cc1nccs1.

What is the InChIKey of 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)?

The InChIKey is ISBVZXFAOQHPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H9F.2C8H10O.4C8H10.2C7H6F2.2C7H7F.2C7H8.2C6H7N.C5H8N2.C5H6O.C4H5NS/c1-7-4-5-8(2)9(6-7)10-3;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;4*1-7-3-5-8(2)6-4-7;1-5-2-6(8)4-7(9)3-5;1-5-3-2-4-6(8)7(5)9;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-4-7(2)6-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4-6H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2*2-4H,1H3;2*2-5H,1H3;2*2-6H,1H3;2*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)?

1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene) has a molecular weight of 2053.79 g/mol, XLogP of 37.33, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene) is sourced from PubChem (CID 158789426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).