2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C21H23FN2O3 — CID 131642303

About 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 131642303) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
• PubChem CID: 131642303
• Molecular Formula: C21H23FN2O3
• Molecular Weight: 370.42 g/mol
• Exact Mass: 370.17
• IUPAC Name: 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
• SMILES: O=C(Cc1cccc(F)c1)N1CC2(C1)OCCC2CCOc1cccnc1
• InChI: InChI=1S/C21H23FN2O3/c22-18-4-1-3-16(11-18)12-20(25)24-14-21(15-24)17(7-10-27-21)6-9-26-19-5-2-8-23-13-19/h1-5,8,11,13,17H,6-7,9-10,12,14-15H2
• InChIKey: QJXCNLICSIOPQL-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.42
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

The IUPAC name of 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 131642303) is 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

What is the SMILES notation for 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

The canonical SMILES for 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(Cc1cccc(F)c1)N1CC2(C1)OCCC2CCOc1cccnc1.

What is the InChIKey of 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

The InChIKey is QJXCNLICSIOPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-4-1-3-16(11-18)12-20(25)24-14-21(15-24)17(7-10-27-21)6-9-26-19-5-2-8-23-13-19/h1-5,8,11,13,17H,6-7,9-10,12,14-15H2.

What are the key properties of 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 131642303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).