methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate

C20H25F2NO5 — CID 67109187

About methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate

methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate (PubChem CID 67109187) has the molecular formula C20H25F2NO5 and a molecular weight of 397.42 g/mol. Its IUPAC name is methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

• Compound Name: methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
• PubChem CID: 67109187
• Molecular Formula: C20H25F2NO5
• Molecular Weight: 397.42 g/mol
• Exact Mass: 397.17
• IUPAC Name: methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
• SMILES: COC(=O)[C@H]1CC(F)(F)C[C@]2(CCN(Cc3ccc(OC)cc3OC)C2=O)C1
• InChI: InChI=1S/C20H25F2NO5/c1-26-15-5-4-13(16(8-15)27-2)11-23-7-6-19(18(23)25)9-14(17(24)28-3)10-20(21,22)12-19/h4-5,8,14H,6-7,9-12H2,1-3H3/t14-,19+/m1/s1
• InChIKey: TVPSZGHWIGOEGK-KUHUBIRLSA-N
• XLogP: 3.03
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.42
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate?

The IUPAC name of methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate (CID 67109187) is methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate.

What is the SMILES notation for methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate?

The canonical SMILES for methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate is COC(=O)[C@H]1CC(F)(F)C[C@]2(CCN(Cc3ccc(OC)cc3OC)C2=O)C1.

What is the InChIKey of methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate?

The InChIKey is TVPSZGHWIGOEGK-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H25F2NO5/c1-26-15-5-4-13(16(8-15)27-2)11-23-7-6-19(18(23)25)9-14(17(24)28-3)10-20(21,22)12-19/h4-5,8,14H,6-7,9-12H2,1-3H3/t14-,19+/m1/s1.

What are the key properties of methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate?

methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 397.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 67109187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).