8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)

C22H24F7N3O7 — CID 155833514

About 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)

8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155833514) has the molecular formula C22H24F7N3O7 and a molecular weight of 575.43 g/mol. Its IUPAC name is 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155833514
• Molecular Formula: C22H24F7N3O7
• Molecular Weight: 575.43 g/mol
• Exact Mass: 575.15
• IUPAC Name: 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cc(CN2CC3(C2)OCCC3CCOc2ncccc2F)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H22FN3O3.2C2HF3O2/c1-13-9-15(21-25-13)10-22-11-18(12-22)14(5-8-24-18)4-7-23-17-16(19)3-2-6-20-17;2*3-2(4,5)1(6)7/h2-3,6,9,14H,4-5,7-8,10-12H2,1H3;2*(H,6,7)
• InChIKey: GTCHWNQYYKFFME-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 135.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.43
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) (CID 155833514) is 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) is Cc1cc(CN2CC3(C2)OCCC3CCOc2ncccc2F)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is GTCHWNQYYKFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3.2C2HF3O2/c1-13-9-15(21-25-13)10-22-11-18(12-22)14(5-8-24-18)4-7-23-17-16(19)3-2-6-20-17;2*3-2(4,5)1(6)7/h2-3,6,9,14H,4-5,7-8,10-12H2,1H3;2*(H,6,7).

What are the key properties of 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?

8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 575.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155833514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).