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

C24H28F2O — CID 22385199

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

1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene (PubChem CID 22385199) has the molecular formula C24H28F2O and a molecular weight of 370.48 g/mol. Its IUPAC name is 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene.

Molecular Properties

• Compound Name: 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene
• PubChem CID: 22385199
• Molecular Formula: C24H28F2O
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.21
• IUPAC Name: 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene
• SMILES: C=CCOc1c(F)cc2cc(C3CCC4CC(C)CCC4C3)ccc2c1F
• InChI: InChI=1S/C24H28F2O/c1-3-10-27-24-22(25)14-20-13-19(8-9-21(20)23(24)26)18-7-6-16-11-15(2)4-5-17(16)12-18/h3,8-9,13-18H,1,4-7,10-12H2,2H3
• InChIKey: MDJKRLKSRXBTOI-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	7.00
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 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene?

The IUPAC name of 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene (CID 22385199) is 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene.

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

The canonical SMILES for 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene is C=CCOc1c(F)cc2cc(C3CCC4CC(C)CCC4C3)ccc2c1F.

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

The InChIKey is MDJKRLKSRXBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2O/c1-3-10-27-24-22(25)14-20-13-19(8-9-21(20)23(24)26)18-7-6-16-11-15(2)4-5-17(16)12-18/h3,8-9,13-18H,1,4-7,10-12H2,2H3.

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

1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene has a molecular weight of 370.48 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 22385199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).