1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene

C116H118F12 — CID 160531660

About 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene

1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene (PubChem CID 160531660) has the molecular formula C116H118F12 and a molecular weight of 1740.20 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene.

Molecular Properties

• Compound Name: 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene
• PubChem CID: 160531660
• Molecular Formula: C116H118F12
• Molecular Weight: 1740.20 g/mol
• Exact Mass: 1738.90
• IUPAC Name: 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene
• SMILES: CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c2c(F)c(C)ccc2c1.Cc1cc(F)c2cc(C)c(F)cc2c1.Cc1cc(F)c2cc(C)ccc2c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1ccc2cc(C)c(F)cc2c1.Cc1ccc2cc(C)ccc2c1
• InChI: InChI=1S/3C12H10F2.3C12H11F.C12H12.C8H8F2.C8H9F.C8H16.C8H10/c1-7-3-9-6-11(13)8(2)5-10(9)12(14)4-7;1-7-5-9-4-3-8(2)12(14)11(9)10(13)6-7;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-8-3-4-10-5-9(2)7-12(13)11(10)6-8;1-8-3-4-10-6-9(2)12(13)7-11(10)5-8;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7/h3*3-6H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3
• InChIKey: QVPVYSSTDASDLI-UHFFFAOYSA-N
• XLogP: 35.61
• TPSA: 0.00 Ų
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1740.20
LogP ≤ 5	35.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene?

The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene (CID 160531660) is 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene.

What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene?

The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene is CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c2c(F)c(C)ccc2c1.Cc1cc(F)c2cc(C)c(F)cc2c1.Cc1cc(F)c2cc(C)ccc2c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)ccc2c1.Cc1ccc2cc(C)c(F)cc2c1.Cc1ccc2cc(C)ccc2c1.

What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene?

The InChIKey is QVPVYSSTDASDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10F2.3C12H11F.C12H12.C8H8F2.C8H9F.C8H16.C8H10/c1-7-3-9-6-11(13)8(2)5-10(9)12(14)4-7;1-7-5-9-4-3-8(2)12(14)11(9)10(13)6-7;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14;1-8-3-6-11-10(7-8)5-4-9(2)12(11)13;1-8-3-4-10-5-9(2)7-12(13)11(10)6-8;1-8-3-4-10-6-9(2)12(13)7-11(10)5-8;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7/h3*3-6H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene?

1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene has a molecular weight of 1740.20 g/mol, XLogP of 35.61, 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;1,3-difluoro-2,6-dimethylnaphthalene;1,6-difluoro-3,7-dimethylnaphthalene;1,8-difluoro-2,6-dimethylnaphthalene;1,4-dimethylcyclohexane;2,6-dimethylnaphthalene;2-fluoro-1,4-dimethylbenzene;1-fluoro-2,6-dimethylnaphthalene;1-fluoro-3,7-dimethylnaphthalene;3-fluoro-2,6-dimethylnaphthalene;1,4-xylene is sourced from PubChem (CID 160531660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).