1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene

C24H24F6 — CID 160856568

About 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene

1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene (PubChem CID 160856568) has the molecular formula C24H24F6 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene.

Molecular Properties

• Compound Name: 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene
• PubChem CID: 160856568
• Molecular Formula: C24H24F6
• Molecular Weight: 426.44 g/mol
• Exact Mass: 426.18
• IUPAC Name: 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene
• SMILES: Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1F.Cc1ccc(C)c(F)c1
• InChI: InChI=1S/C8H7F3.C8H8F2.C8H9F/c1-4-3-6(9)5(2)8(11)7(4)10;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6/h3H,1-2H3;3-4H,1-2H3;3-5H,1-2H3
• InChIKey: SJXYZVHCBNUKBX-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 0.00 Ų
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.44
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene?

The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene (CID 160856568) is 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene.

What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene?

The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene is Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1F.Cc1ccc(C)c(F)c1.

What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene?

The InChIKey is SJXYZVHCBNUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C8H8F2.C8H9F/c1-4-3-6(9)5(2)8(11)7(4)10;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6/h3H,1-2H3;3-4H,1-2H3;3-5H,1-2H3.

What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene?

1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene has a molecular weight of 426.44 g/mol, XLogP of 7.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene is sourced from PubChem (CID 160856568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).