3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene

C26H18F8O — CID 139960496

About 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene

3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene (PubChem CID 139960496) has the molecular formula C26H18F8O and a molecular weight of 498.41 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene.

Molecular Properties

• Compound Name: 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene
• PubChem CID: 139960496
• Molecular Formula: C26H18F8O
• Molecular Weight: 498.41 g/mol
• Exact Mass: 498.12
• IUPAC Name: 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene
• SMILES: CCCc1cc(F)c(C2=Cc3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3CC2)c(F)c1
• InChI: InChI=1S/C26H18F8O/c1-2-3-13-8-19(27)23(20(28)9-13)15-5-7-17-14(10-15)4-6-18(24(17)31)16-11-21(29)25(22(30)12-16)35-26(32,33)34/h4,6,8-12H,2-3,5,7H2,1H3
• InChIKey: BSPAIDVGQXRZSR-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.41
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene?

The IUPAC name of 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene (CID 139960496) is 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene.

What is the SMILES notation for 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene?

The canonical SMILES for 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene is CCCc1cc(F)c(C2=Cc3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3CC2)c(F)c1.

What is the InChIKey of 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene?

The InChIKey is BSPAIDVGQXRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F8O/c1-2-3-13-8-19(27)23(20(28)9-13)15-5-7-17-14(10-15)4-6-18(24(17)31)16-11-21(29)25(22(30)12-16)35-26(32,33)34/h4,6,8-12H,2-3,5,7H2,1H3.

What are the key properties of 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene?

3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene has a molecular weight of 498.41 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139960496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).