[7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C21H27F2NO3 — CID 164710176

About [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710176) has the molecular formula C21H27F2NO3 and a molecular weight of 379.45 g/mol. Its IUPAC name is [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 164710176
• Molecular Formula: C21H27F2NO3
• Molecular Weight: 379.45 g/mol
• Exact Mass: 379.20
• IUPAC Name: [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: COc1cc(F)c(F)c(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
• InChI: InChI=1S/C21H27F2NO3/c1-20(26)9-14(10-20)19(25)24-11-21(12-24)5-3-13(4-6-21)16-7-15(27-2)8-17(22)18(16)23/h7-8,13-14,26H,3-6,9-12H2,1-2H3
• InChIKey: RFSHYTJLPOHRIK-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.45
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710176) is [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is COc1cc(F)c(F)c(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1.

What is the InChIKey of [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is RFSHYTJLPOHRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2NO3/c1-20(26)9-14(10-20)19(25)24-11-21(12-24)5-3-13(4-6-21)16-7-15(27-2)8-17(22)18(16)23/h7-8,13-14,26H,3-6,9-12H2,1-2H3.

What are the key properties of [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 379.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).