4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

C19H23F7N2O6 — CID 155825938

About 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155825938) has the molecular formula C19H23F7N2O6 and a molecular weight of 508.39 g/mol. Its IUPAC name is 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155825938
• Molecular Formula: C19H23F7N2O6
• Molecular Weight: 508.39 g/mol
• Exact Mass: 508.14
• IUPAC Name: 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• SMILES: Fc1cccnc1OCCC1CCOC12CCNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H21FN2O2.2C2HF3O2/c16-13-2-1-7-18-14(13)19-10-3-12-4-11-20-15(12)5-8-17-9-6-15;2*3-2(4,5)1(6)7/h1-2,7,12,17H,3-6,8-11H2;2*(H,6,7)
• InChIKey: UHIARGUCEJKHMU-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 117.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.39
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 155825938) is 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is Fc1cccnc1OCCC1CCOC12CCNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is UHIARGUCEJKHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.2C2HF3O2/c16-13-2-1-7-18-14(13)19-10-3-12-4-11-20-15(12)5-8-17-9-6-15;2*3-2(4,5)1(6)7/h1-2,7,12,17H,3-6,8-11H2;2*(H,6,7).

What are the key properties of 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 508.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155825938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).