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

C25H35FO — CID 139865355

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

2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865355) has the molecular formula C25H35FO and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139865355
• Molecular Formula: C25H35FO
• Molecular Weight: 370.55 g/mol
• Exact Mass: 370.27
• IUPAC Name: 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
• SMILES: C=CCOC1CCC2CC(c3cc(F)c4c(c3)CCC(CC)C4)CCC2C1
• InChI: InChI=1S/C25H35FO/c1-3-11-27-23-10-9-18-13-19(7-8-20(18)15-23)22-14-21-6-5-17(4-2)12-24(21)25(26)16-22/h3,14,16-20,23H,1,4-13,15H2,2H3
• InChIKey: XOCYFVQYXDGVNB-UHFFFAOYSA-N
• XLogP: 6.60
• 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	370.55
LogP ≤ 5	6.60
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 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 139865355) is 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

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

The canonical SMILES for 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is C=CCOC1CCC2CC(c3cc(F)c4c(c3)CCC(CC)C4)CCC2C1.

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

The InChIKey is XOCYFVQYXDGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FO/c1-3-11-27-23-10-9-18-13-19(7-8-20(18)15-23)22-14-21-6-5-17(4-2)12-24(21)25(26)16-22/h3,14,16-20,23H,1,4-13,15H2,2H3.

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

2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 370.55 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).