1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene

C84H134F7N3O2 — CID 158674896

About 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene

1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene (PubChem CID 158674896) has the molecular formula C84H134F7N3O2 and a molecular weight of 1351.00 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene.

Molecular Properties

• Compound Name: 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene
• PubChem CID: 158674896
• Molecular Formula: C84H134F7N3O2
• Molecular Weight: 1351.00 g/mol
• Exact Mass: 1350.04
• IUPAC Name: 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene
• SMILES: CC1=C(F)CC(C)CC1.CC1CCC(C)CC1.CC1CC[C@@H](C)C(C)C1.CC1CC[C@@H](C)C(F)(F)C1.CC1CC[C@@H](C)C(F)C1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.[H][H]
• InChI: InChI=1S/C9H18.C8H8F2.C8H14F2.C8H15F.C8H13F.C8H9F.C8H16.C8H10.C7H9N.C6H8N2.C6H12O2.H2/c1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9,10)5-6;3*1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;/h7-9H,4-6H2,1-3H3;3-4H,1-2H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3;1H/t7?,8-,9?;;6?,7-;6?,7-,8?;;;;;;;;/m1.11......../s1
• InChIKey: IEJVQKUXLFVTCE-JYZFEMAVSA-N
• XLogP: 26.20
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.00
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene?

The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene (CID 158674896) is 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene.

What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene?

The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene is CC1=C(F)CC(C)CC1.CC1CCC(C)CC1.CC1CC[C@@H](C)C(C)C1.CC1CC[C@@H](C)C(F)(F)C1.CC1CC[C@@H](C)C(F)C1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.[H][H].

What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene?

The InChIKey is IEJVQKUXLFVTCE-JYZFEMAVSA-N. The full InChI is InChI=1S/C9H18.C8H8F2.C8H14F2.C8H15F.C8H13F.C8H9F.C8H16.C8H10.C7H9N.C6H8N2.C6H12O2.H2/c1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9,10)5-6;3*1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;/h7-9H,4-6H2,1-3H3;3-4H,1-2H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3;1H/t7?,8-,9?;;6?,7-;6?,7-,8?;;;;;;;;/m1.11......../s1.

What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene?

1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene has a molecular weight of 1351.00 g/mol, XLogP of 26.20, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2,5-dimethylbenzene;(2R)-1,1-difluoro-2,5-dimethylcyclohexane;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;(1R)-2-fluoro-1,4-dimethylcyclohexane;2-fluoro-1,4-dimethylcyclohexene;molecular hydrogen;(1R)-1,2,4-trimethylcyclohexane;1,4-xylene is sourced from PubChem (CID 158674896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).