1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene

C149H170F16N2O3 — CID 160948097

About 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene

1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene (PubChem CID 160948097) has the molecular formula C149H170F16N2O3 and a molecular weight of 2340.98 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene.

Molecular Properties

• Compound Name: 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene
• PubChem CID: 160948097
• Molecular Formula: C149H170F16N2O3
• Molecular Weight: 2340.98 g/mol
• Exact Mass: 2339.30
• IUPAC Name: 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene
• SMILES: CC1CCC(C)CC1.CC1CCC(C)OC1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1cc2ccc(C)c(F)c2c(F)c1F.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1ccc2cc(C)c(F)c(F)c2c1.Cc1ccc2cc(C)ccc2c1.Cc1cnc(C)nc1
• InChI: InChI=1S/2C12H9F3.2C12H10F2.C12H11F.C12H12.2C9H12.2C8H8F2.C8H9F.C8H16.C8H10.C7H14O.C6H8N2.C6H12O2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-6-3-4-8-5-7(2)11(14)12(15)9(8)10(6)13;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14;1-7-3-4-9-6-8(2)11(13)12(14)10(9)5-7;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;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/h2*3-5H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3;2*3-4H,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: SVJRHCQNQNOXBD-UHFFFAOYSA-N
• XLogP: 44.17
• TPSA: 53.47 Ų
• H-Bond Acceptors: 5
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2340.98
LogP ≤ 5	44.17
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;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene?

The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene (CID 160948097) is 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene.

What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene?

The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene is CC1CCC(C)CC1.CC1CCC(C)OC1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1cc2ccc(C)c(F)c2c(F)c1F.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1ccc2cc(C)c(F)c(F)c2c1.Cc1ccc2cc(C)ccc2c1.Cc1cnc(C)nc1.

What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene?

The InChIKey is SVJRHCQNQNOXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9F3.2C12H10F2.C12H11F.C12H12.2C9H12.2C8H8F2.C8H9F.C8H16.C8H10.C7H14O.C6H8N2.C6H12O2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-6-3-4-8-5-7(2)11(14)12(15)9(8)10(6)13;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14;1-7-3-4-9-6-8(2)11(13)12(14)10(9)5-7;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;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/h2*3-5H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;2*4-6H,1-3H3;2*3-4H,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-4H,1-2H3;5-6H,3-4H2,1-2H3.

What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene?

1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene has a molecular weight of 2340.98 g/mol, XLogP of 44.17, 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;2,3-difluoro-1,4-dimethylbenzene;1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,6-dimethylnaphthalene;2,5-dimethyloxane;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene;bis(1,2,4-trimethylbenzene);1,4-xylene is sourced from PubChem (CID 160948097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).