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

C26H33FO — CID 22384256

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

1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (PubChem CID 22384256) has the molecular formula C26H33FO and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

Molecular Properties

• Compound Name: 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
• PubChem CID: 22384256
• Molecular Formula: C26H33FO
• Molecular Weight: 380.55 g/mol
• Exact Mass: 380.25
• IUPAC Name: 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
• SMILES: C=CCOc1cc(F)c2cc(C3CCC4CC(CCC)CCC4C3)ccc2c1
• InChI: InChI=1S/C26H33FO/c1-3-5-18-6-7-20-14-21(9-8-19(20)13-18)22-10-11-23-15-24(28-12-4-2)17-26(27)25(23)16-22/h4,10-11,15-21H,2-3,5-9,12-14H2,1H3
• InChIKey: CWTGOSFEQOQTOZ-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.55
LogP ≤ 5	7.64
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 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?

The IUPAC name of 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (CID 22384256) is 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

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

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

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

The InChIKey is CWTGOSFEQOQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FO/c1-3-5-18-6-7-20-14-21(9-8-19(20)13-18)22-10-11-23-15-24(28-12-4-2)17-26(27)25(23)16-22/h4,10-11,15-21H,2-3,5-9,12-14H2,1H3.

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

1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene has a molecular weight of 380.55 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-3-prop-2-enoxy-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 22384256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).