9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

C22H24F6N2O7 — CID 155842299

About 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155842299) has the molecular formula C22H24F6N2O7 and a molecular weight of 542.43 g/mol. Its IUPAC name is 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155842299
• Molecular Formula: C22H24F6N2O7
• Molecular Weight: 542.43 g/mol
• Exact Mass: 542.15
• IUPAC Name: 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(OC2COC3(CCCN(Cc4ccco4)C3)C2)c1
• InChI: InChI=1S/C18H22N2O3.2C2HF3O2/c1-4-15(11-19-7-1)23-17-10-18(22-13-17)6-3-8-20(14-18)12-16-5-2-9-21-16;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,11,17H,3,6,8,10,12-14H2;2*(H,6,7)
• InChIKey: GRSNNXUQDHLRBR-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 122.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.43
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 155842299) is 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(OC2COC3(CCCN(Cc4ccco4)C3)C2)c1.

What is the InChIKey of 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is GRSNNXUQDHLRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.2C2HF3O2/c1-4-15(11-19-7-1)23-17-10-18(22-13-17)6-3-8-20(14-18)12-16-5-2-9-21-16;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,11,17H,3,6,8,10,12-14H2;2*(H,6,7).

What are the key properties of 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?

9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 542.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155842299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).