8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene

C22H31FO — CID 139865240

About 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene

8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865240) has the molecular formula C22H31FO and a molecular weight of 330.49 g/mol. Its IUPAC name is 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139865240
• Molecular Formula: C22H31FO
• Molecular Weight: 330.49 g/mol
• Exact Mass: 330.24
• IUPAC Name: 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene
• SMILES: COC1CCC2CC(c3cc(F)c4c(c3)CCC(C)C4)CCC2C1
• InChI: InChI=1S/C22H31FO/c1-14-3-4-18-11-19(13-22(23)21(18)9-14)16-5-6-17-12-20(24-2)8-7-15(17)10-16/h11,13-17,20H,3-10,12H2,1-2H3
• InChIKey: SWSPUUJNFGADBB-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.49
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 139865240) is 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene.

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

The canonical SMILES for 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene is COC1CCC2CC(c3cc(F)c4c(c3)CCC(C)C4)CCC2C1.

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

The InChIKey is SWSPUUJNFGADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FO/c1-14-3-4-18-11-19(13-22(23)21(18)9-14)16-5-6-17-12-20(24-2)8-7-15(17)10-16/h11,13-17,20H,3-10,12H2,1-2H3.

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

8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 330.49 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).