2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene

C75H92F6N4OS — CID 157295675

About 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene

2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene (PubChem CID 157295675) has the molecular formula C75H92F6N4OS and a molecular weight of 1211.64 g/mol. Its IUPAC name is 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
• PubChem CID: 157295675
• Molecular Formula: C75H92F6N4OS
• Molecular Weight: 1211.64 g/mol
• Exact Mass: 1210.69
• IUPAC Name: 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
• SMILES: Cc1c(F)cc(F)cc1F.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C(F)(F)F)c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C
• InChI: InChI=1S/C10H14.C9H9F3.C9H12.C7H5F3.4C7H9N.C6H8O.C6H8S/c1-7-5-8(2)10(4)9(3)6-7;1-6-4-3-5-8(7(6)2)9(10,11)12;1-7-4-5-8(2)9(3)6-7;1-4-6(9)2-5(8)3-7(4)10;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2/h5-6H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2-3H,1H3;4*3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: BBHXVIYOAIHVHP-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 64.70 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.64
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene?

The IUPAC name of 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene (CID 157295675) is 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene.

What is the SMILES notation for 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene?

The canonical SMILES for 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene is Cc1c(F)cc(F)cc1F.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1cccc(C(F)(F)F)c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccsc1C.

What is the InChIKey of 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene?

The InChIKey is BBHXVIYOAIHVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H9F3.C9H12.C7H5F3.4C7H9N.C6H8O.C6H8S/c1-7-5-8(2)10(4)9(3)6-7;1-6-4-3-5-8(7(6)2)9(10,11)12;1-7-4-5-8(2)9(3)6-7;1-4-6(9)2-5(8)3-7(4)10;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2/h5-6H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;2-3H,1H3;4*3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene?

2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene has a molecular weight of 1211.64 g/mol, XLogP of 22.32, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 157295675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).