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

C25H31FO — CID 22383986

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

7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene (PubChem CID 22383986) has the molecular formula C25H31FO and a molecular weight of 366.52 g/mol. Its IUPAC name is 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene.

Molecular Properties

• Compound Name: 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene
• PubChem CID: 22383986
• Molecular Formula: C25H31FO
• Molecular Weight: 366.52 g/mol
• Exact Mass: 366.24
• IUPAC Name: 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene
• SMILES: C=CCOc1cc(F)c2cc(C3CCC4CC(CC)CCC4C3)ccc2c1
• InChI: InChI=1S/C25H31FO/c1-3-11-27-23-14-22-10-9-21(15-24(22)25(26)16-23)20-8-7-18-12-17(4-2)5-6-19(18)13-20/h3,9-10,14-20H,1,4-8,11-13H2,2H3
• InChIKey: UKGSVOJUUKBCOJ-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 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene?

The IUPAC name of 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene (CID 22383986) is 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene.

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

The canonical SMILES for 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene is C=CCOc1cc(F)c2cc(C3CCC4CC(CC)CCC4C3)ccc2c1.

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

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

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

7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-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 7-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-3-prop-2-enoxynaphthalene is sourced from PubChem (CID 22383986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).