[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate

C20H27F3N2O4 — CID 126506289

About [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate

[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 126506289) has the molecular formula C20H27F3N2O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 126506289
• Molecular Formula: C20H27F3N2O4
• Molecular Weight: 416.44 g/mol
• Exact Mass: 416.19
• IUPAC Name: [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: COc1ccc(COCC(OC(=O)N2CCC3(CCNC3)CC2)C(F)(F)F)cc1
• InChI: InChI=1S/C20H27F3N2O4/c1-27-16-4-2-15(3-5-16)12-28-13-17(20(21,22)23)29-18(26)25-10-7-19(8-11-25)6-9-24-14-19/h2-5,17,24H,6-14H2,1H3
• InChIKey: VHOPNQHDERJRFK-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.44
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate (CID 126506289) is [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate is COc1ccc(COCC(OC(=O)N2CCC3(CCNC3)CC2)C(F)(F)F)cc1.

What is the InChIKey of [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is VHOPNQHDERJRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O4/c1-27-16-4-2-15(3-5-16)12-28-13-17(20(21,22)23)29-18(26)25-10-7-19(8-11-25)6-9-24-14-19/h2-5,17,24H,6-14H2,1H3.

What are the key properties of [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate?

[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 126506289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).