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

C24H32F2O — CID 139865574

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

5,7-difluoro-2-methyl-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 139865574) has the molecular formula C24H32F2O and a molecular weight of 374.52 g/mol. Its IUPAC name is 5,7-difluoro-2-methyl-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: 5,7-difluoro-2-methyl-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: 139865574
• Molecular Formula: C24H32F2O
• Molecular Weight: 374.52 g/mol
• Exact Mass: 374.24
• IUPAC Name: 5,7-difluoro-2-methyl-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(c3c(F)cc4c(c3F)CCC(C)C4)CCC2C1
• InChI: InChI=1S/C24H32F2O/c1-3-10-27-20-8-7-16-12-18(6-5-17(16)13-20)23-22(25)14-19-11-15(2)4-9-21(19)24(23)26/h3,14-18,20H,1,4-13H2,2H3
• InChIKey: SQRJDVVBCHXWQV-UHFFFAOYSA-N
• XLogP: 6.34
• 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	374.52
LogP ≤ 5	6.34
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 5,7-difluoro-2-methyl-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 5,7-difluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 139865574) is 5,7-difluoro-2-methyl-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 5,7-difluoro-2-methyl-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 5,7-difluoro-2-methyl-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(c3c(F)cc4c(c3F)CCC(C)C4)CCC2C1.

What is the InChIKey of 5,7-difluoro-2-methyl-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 SQRJDVVBCHXWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2O/c1-3-10-27-20-8-7-16-12-18(6-5-17(16)13-20)23-22(25)14-19-11-15(2)4-9-21(19)24(23)26/h3,14-18,20H,1,4-13H2,2H3.

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

5,7-difluoro-2-methyl-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 374.52 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-2-methyl-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 139865574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).