1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

C28H36F2 — CID 22384669

About 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (PubChem CID 22384669) has the molecular formula C28H36F2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

Molecular Properties

• Compound Name: 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
• PubChem CID: 22384669
• Molecular Formula: C28H36F2
• Molecular Weight: 410.59 g/mol
• Exact Mass: 410.28
• IUPAC Name: 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
• SMILES: C/C=C/CCc1c(F)cc2cc(C3CCC4CC(CCC)CCC4C3)ccc2c1F
• InChI: InChI=1S/C28H36F2/c1-3-5-6-8-26-27(29)18-24-17-23(13-14-25(24)28(26)30)22-12-11-20-15-19(7-4-2)9-10-21(20)16-22/h3,5,13-14,17-22H,4,6-12,15-16H2,1-2H3/b5-3+
• InChIKey: CWBJNWTXKBJJNB-HWKANZROSA-N
• XLogP: 8.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.59
LogP ≤ 5	8.73
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 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The IUPAC name of 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (CID 22384669) is 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

What is the SMILES notation for 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The canonical SMILES for 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is C/C=C/CCc1c(F)cc2cc(C3CCC4CC(CCC)CCC4C3)ccc2c1F.

What is the InChIKey of 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The InChIKey is CWBJNWTXKBJJNB-HWKANZROSA-N. The full InChI is InChI=1S/C28H36F2/c1-3-5-6-8-26-27(29)18-24-17-23(13-14-25(24)28(26)30)22-12-11-20-15-19(7-4-2)9-10-21(20)16-22/h3,5,13-14,17-22H,4,6-12,15-16H2,1-2H3/b5-3+.

What are the key properties of 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene has a molecular weight of 410.59 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 22384669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).