6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene

C23H26F2 — CID 139849868

About 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene

6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849868) has the molecular formula C23H26F2 and a molecular weight of 340.46 g/mol. Its IUPAC name is 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139849868
• Molecular Formula: C23H26F2
• Molecular Weight: 340.46 g/mol
• Exact Mass: 340.20
• IUPAC Name: 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
• SMILES: C=CCCc1ccc2c(c1)CCC(c1c(F)cc(CCC)cc1F)C2
• InChI: InChI=1S/C23H26F2/c1-3-5-7-16-8-9-19-15-20(11-10-18(19)12-16)23-21(24)13-17(6-4-2)14-22(23)25/h3,8-9,12-14,20H,1,4-7,10-11,15H2,2H3
• InChIKey: XVOHAXVAGORJSL-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.46
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139849868) is 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc2c(c1)CCC(c1c(F)cc(CCC)cc1F)C2.

What is the InChIKey of 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?

The InChIKey is XVOHAXVAGORJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2/c1-3-5-7-16-8-9-19-15-20(11-10-18(19)12-16)23-21(24)13-17(6-4-2)14-22(23)25/h3,8-9,12-14,20H,1,4-7,10-11,15H2,2H3.

What are the key properties of 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?

6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 340.46 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).