6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene

C24H28F4O — CID 20808220

About 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene

6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene (PubChem CID 20808220) has the molecular formula C24H28F4O and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene.

Molecular Properties

• Compound Name: 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene
• PubChem CID: 20808220
• Molecular Formula: C24H28F4O
• Molecular Weight: 408.48 g/mol
• Exact Mass: 408.21
• IUPAC Name: 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene
• SMILES: CCC[C@@H]1CC[C@@H]2CC(c3ccc4c(F)c(OC(F)F)c(F)cc4c3)CCC2C1
• InChI: InChI=1S/C24H28F4O/c1-2-3-14-4-5-16-11-17(7-6-15(16)10-14)18-8-9-20-19(12-18)13-21(25)23(22(20)26)29-24(27)28/h8-9,12-17,24H,2-7,10-11H2,1H3/t14-,15?,16-,17?/m1/s1
• InChIKey: YVQJKZKCWJYQAH-KZYLPZIUSA-N
• XLogP: 7.82
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene?

The IUPAC name of 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene (CID 20808220) is 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene.

What is the SMILES notation for 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene?

The canonical SMILES for 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene is CCC[C@@H]1CC[C@@H]2CC(c3ccc4c(F)c(OC(F)F)c(F)cc4c3)CCC2C1.

What is the InChIKey of 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene?

The InChIKey is YVQJKZKCWJYQAH-KZYLPZIUSA-N. The full InChI is InChI=1S/C24H28F4O/c1-2-3-14-4-5-16-11-17(7-6-15(16)10-14)18-8-9-20-19(12-18)13-21(25)23(22(20)26)29-24(27)28/h8-9,12-17,24H,2-7,10-11H2,1H3/t14-,15?,16-,17?/m1/s1.

What are the key properties of 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene?

6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene has a molecular weight of 408.48 g/mol, XLogP of 7.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene is sourced from PubChem (CID 20808220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).