2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene

C26H20F8 — CID 139853416

About 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene

2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853416) has the molecular formula C26H20F8 and a molecular weight of 484.43 g/mol. Its IUPAC name is 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139853416
• Molecular Formula: C26H20F8
• Molecular Weight: 484.43 g/mol
• Exact Mass: 484.14
• IUPAC Name: 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCCc1cc(F)c(C2CCc3c(F)c(-c4cc(F)c(F)c(F)c4)c(F)c(F)c3C2)c(F)c1
• InChI: InChI=1S/C26H20F8/c1-2-3-4-12-7-17(27)21(18(28)8-12)13-5-6-15-16(9-13)24(32)26(34)22(23(15)31)14-10-19(29)25(33)20(30)11-14/h7-8,10-11,13H,2-6,9H2,1H3
• InChIKey: UMWFBNKHFXSIBB-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.43
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853416) is 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene is CCCCc1cc(F)c(C2CCc3c(F)c(-c4cc(F)c(F)c(F)c4)c(F)c(F)c3C2)c(F)c1.

What is the InChIKey of 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene?

The InChIKey is UMWFBNKHFXSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F8/c1-2-3-4-12-7-17(27)21(18(28)8-12)13-5-6-15-16(9-13)24(32)26(34)22(23(15)31)14-10-19(29)25(33)20(30)11-14/h7-8,10-11,13H,2-6,9H2,1H3.

What are the key properties of 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene?

2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 484.43 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butyl-2,6-difluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).