1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene

C71H85F7N4 — CID 161449033

About 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene

1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene (PubChem CID 161449033) has the molecular formula C71H85F7N4 and a molecular weight of 1127.47 g/mol. Its IUPAC name is 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene
• PubChem CID: 161449033
• Molecular Formula: C71H85F7N4
• Molecular Weight: 1127.47 g/mol
• Exact Mass: 1126.67
• IUPAC Name: 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene
• SMILES: Cc1cc(C)c(C)c(C)c1.Cc1cc(F)cc(F)c1C.Cc1ccc(C)c(C)c1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C
• InChI: InChI=1S/C10H14.C9H9F3.C9H12.C8H8F2.C7H6F2.4C7H9N/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;1-5-3-7(9)4-8(10)6(5)2;1-5-2-3-6(8)4-7(5)9;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2/h5-6H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;3-4H,1-2H3;2-4H,1H3;4*3-5H,1-2H3
• InChIKey: WAGYKLNGCVZRCV-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.47
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene (CID 161449033) is 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene.

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

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

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

The InChIKey is WAGYKLNGCVZRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H9F3.C9H12.C8H8F2.C7H6F2.4C7H9N/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;1-5-3-7(9)4-8(10)6(5)2;1-5-2-3-6(8)4-7(5)9;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2/h5-6H,1-4H3;3-5H,1-2H3;4-6H,1-3H3;3-4H,1-2H3;2-4H,1H3;4*3-5H,1-2H3.

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

1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene has a molecular weight of 1127.47 g/mol, XLogP of 20.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-difluoro-2,3-dimethylbenzene;2,4-difluoro-1-methylbenzene;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 161449033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).