1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene

C81H80F20O2 — CID 158269305

About 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene

1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene (PubChem CID 158269305) has the molecular formula C81H80F20O2 and a molecular weight of 1465.49 g/mol. Its IUPAC name is 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene.

Molecular Properties

• Compound Name: 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
• PubChem CID: 158269305
• Molecular Formula: C81H80F20O2
• Molecular Weight: 1465.49 g/mol
• Exact Mass: 1464.58
• IUPAC Name: 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
• SMILES: COc1cc(C)c(OC)cc1C.Cc1c(F)c(F)c(-c2c(F)c(F)c(C)c(F)c2F)c(F)c1F.Cc1cc(C)cc(F)c1.Cc1cc(F)c(C)cc1F.Cc1cc(F)c(F)cc1C.Cc1cc(F)cc(F)c1C.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(F)c(C)c1
• InChI: InChI=1S/C14H6F8.C10H14O2.C9H9F3.3C8H8F2.3C8H9F/c1-3-7(15)11(19)5(12(20)8(3)16)6-13(21)9(17)4(2)10(18)14(6)22;1-7-5-10(12-4)8(2)6-9(7)11-3;1-6-3-4-7(2)8(5-6)9(10,11)12;1-5-3-7(9)4-8(10)6(5)2;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)8(10)4-6(5)2;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6/h1-2H3;5-6H,1-4H3;3-5H,1-2H3;3*3-4H,1-2H3;3*3-5H,1-2H3
• InChIKey: GIVFXRNDGNIXNV-UHFFFAOYSA-N
• XLogP: 25.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1465.49
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?

The IUPAC name of 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene (CID 158269305) is 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene.

What is the SMILES notation for 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?

The canonical SMILES for 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene is COc1cc(C)c(OC)cc1C.Cc1c(F)c(F)c(-c2c(F)c(F)c(C)c(F)c2F)c(F)c1F.Cc1cc(C)cc(F)c1.Cc1cc(F)c(C)cc1F.Cc1cc(F)c(F)cc1C.Cc1cc(F)cc(F)c1C.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(F)c(C)c1.

What is the InChIKey of 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?

The InChIKey is GIVFXRNDGNIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8.C10H14O2.C9H9F3.3C8H8F2.3C8H9F/c1-3-7(15)11(19)5(12(20)8(3)16)6-13(21)9(17)4(2)10(18)14(6)22;1-7-5-10(12-4)8(2)6-9(7)11-3;1-6-3-4-7(2)8(5-6)9(10,11)12;1-5-3-7(9)4-8(10)6(5)2;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)8(10)4-6(5)2;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6/h1-2H3;5-6H,1-4H3;3-5H,1-2H3;3*3-4H,1-2H3;3*3-5H,1-2H3.

What are the key properties of 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene?

1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene has a molecular weight of 1465.49 g/mol, XLogP of 25.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-4,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;1,5-difluoro-2,3-dimethylbenzene;1,4-dimethoxy-2,5-dimethylbenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene is sourced from PubChem (CID 158269305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).