7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

C26H38F2O — CID 139865327

About 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865327) has the molecular formula C26H38F2O and a molecular weight of 404.59 g/mol. Its IUPAC name is 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139865327
• Molecular Formula: C26H38F2O
• Molecular Weight: 404.59 g/mol
• Exact Mass: 404.29
• IUPAC Name: 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCCCC1CCc2cc(C3CCC4CC(OC)CCC4C3)c(F)c(F)c2C1
• InChI: InChI=1S/C26H38F2O/c1-3-4-5-6-17-7-8-21-16-24(26(28)25(27)23(21)13-17)20-10-9-19-15-22(29-2)12-11-18(19)14-20/h16-20,22H,3-15H2,1-2H3
• InChIKey: PZNPJVAGYCIGNT-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.59
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (CID 139865327) is 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCc2cc(C3CCC4CC(OC)CCC4C3)c(F)c(F)c2C1.

What is the InChIKey of 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is PZNPJVAGYCIGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38F2O/c1-3-4-5-6-17-7-8-21-16-24(26(28)25(27)23(21)13-17)20-10-9-19-15-22(29-2)12-11-18(19)14-20/h16-20,22H,3-15H2,1-2H3.

What are the key properties of 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?

7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 404.59 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).