6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene

C25H31FO — CID 22384766

About 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene

6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene (PubChem CID 22384766) has the molecular formula C25H31FO and a molecular weight of 366.52 g/mol. Its IUPAC name is 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene.

Molecular Properties

• Compound Name: 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene
• PubChem CID: 22384766
• Molecular Formula: C25H31FO
• Molecular Weight: 366.52 g/mol
• Exact Mass: 366.24
• IUPAC Name: 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene
• SMILES: C=CCOc1ccc2cc(C3CCC4CC(CC)CCC4C3)ccc2c1F
• InChI: InChI=1S/C25H31FO/c1-3-13-27-24-12-10-22-16-21(9-11-23(22)25(24)26)20-8-7-18-14-17(4-2)5-6-19(18)15-20/h3,9-12,16-20H,1,4-8,13-15H2,2H3
• InChIKey: UOIHSRBDSKDERF-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.52
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene?

The IUPAC name of 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene (CID 22384766) is 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene.

What is the SMILES notation for 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene?

The canonical SMILES for 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C3CCC4CC(CC)CCC4C3)ccc2c1F.

What is the InChIKey of 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene?

The InChIKey is UOIHSRBDSKDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FO/c1-3-13-27-24-12-10-22-16-21(9-11-23(22)25(24)26)20-8-7-18-14-17(4-2)5-6-19(18)15-20/h3,9-12,16-20H,1,4-8,13-15H2,2H3.

What are the key properties of 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene?

6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene has a molecular weight of 366.52 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 22384766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).