1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene

C108H89F19 — CID 158846936

About 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene

1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene (PubChem CID 158846936) has the molecular formula C108H89F19 and a molecular weight of 1747.86 g/mol. Its IUPAC name is 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene.

Molecular Properties

• Compound Name: 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
• PubChem CID: 158846936
• Molecular Formula: C108H89F19
• Molecular Weight: 1747.86 g/mol
• Exact Mass: 1746.67
• IUPAC Name: 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
• SMILES: Cc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1cc(F)c2cc(C)cc(F)c2c1.Cc1cc2cc(F)c(C)cc2cc1F.Cc1cc2ccc(C)c(F)c2cc1F.Cc1ccc2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)cc(F)c2c1.Cc1ccc2c(F)c(C)ccc2c1F.Cc1ccc2c(F)c(C)ccc2c1F.Cc1ccc2cc(C)c(F)c(F)c2c1
• InChI: InChI=1S/C12H9F3.8C12H10F2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-7-3-9-6-12(14)8(2)4-10(9)5-11(7)13;1-7-3-9-10(11(13)5-7)4-8(2)6-12(9)14;2*1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14;1-7-3-4-9-5-8(2)11(13)6-10(9)12(7)14;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14;1-7-3-4-9-10(5-7)11(13)6-8(2)12(9)14;1-7-3-4-9-6-8(2)11(13)12(14)10(9)5-7/h3-5H,1-2H3;8*3-6H,1-2H3
• InChIKey: IYYLDDYHMKLPIH-UHFFFAOYSA-N
• XLogP: 33.75
• TPSA: 0.00 Ų
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1747.86
LogP ≤ 5	33.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?

The IUPAC name of 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene (CID 158846936) is 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene.

What is the SMILES notation for 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?

The canonical SMILES for 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene is Cc1cc(F)c2c(F)c(C)c(F)cc2c1.Cc1cc(F)c2cc(C)cc(F)c2c1.Cc1cc2cc(F)c(C)cc2cc1F.Cc1cc2ccc(C)c(F)c2cc1F.Cc1ccc2c(F)c(C)c(F)cc2c1.Cc1ccc2c(F)c(C)cc(F)c2c1.Cc1ccc2c(F)c(C)ccc2c1F.Cc1ccc2c(F)c(C)ccc2c1F.Cc1ccc2cc(C)c(F)c(F)c2c1.

What is the InChIKey of 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?

The InChIKey is IYYLDDYHMKLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3.8C12H10F2/c1-6-3-8-5-9(13)7(2)12(15)11(8)10(14)4-6;1-7-3-9-6-12(14)8(2)4-10(9)5-11(7)13;1-7-3-9-10(11(13)5-7)4-8(2)6-12(9)14;2*1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14;1-7-3-4-9-5-8(2)11(13)6-10(9)12(7)14;1-7-3-4-10-9(5-7)6-11(13)8(2)12(10)14;1-7-3-4-9-10(5-7)11(13)6-8(2)12(9)14;1-7-3-4-9-6-8(2)11(13)12(14)10(9)5-7/h3-5H,1-2H3;8*3-6H,1-2H3.

What are the key properties of 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene?

1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene has a molecular weight of 1747.86 g/mol, XLogP of 33.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-3,7-dimethylnaphthalene;1,3-difluoro-2,6-dimethylnaphthalene;1,4-difluoro-2,6-dimethylnaphthalene;bis(1,5-difluoro-2,6-dimethylnaphthalene);1,5-difluoro-3,7-dimethylnaphthalene;1,7-difluoro-2,6-dimethylnaphthalene;2,6-difluoro-3,7-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene is sourced from PubChem (CID 158846936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).