[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid

C19H22F4N2O5 — CID 155865110

About [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid

[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155865110) has the molecular formula C19H22F4N2O5 and a molecular weight of 434.39 g/mol. Its IUPAC name is [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155865110
• Molecular Formula: C19H22F4N2O5
• Molecular Weight: 434.39 g/mol
• Exact Mass: 434.15
• IUPAC Name: [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
• SMILES: CC1CC1C(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H21FN2O3.C2HF3O2/c1-11-7-13(11)16(21)20-9-17(10-20)8-12(4-6-22-17)23-15-14(18)3-2-5-19-15;3-2(4,5)1(6)7/h2-3,5,11-13H,4,6-10H2,1H3;(H,6,7)
• InChIKey: GYGJLZMSTVHLLA-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 88.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.39
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid (CID 155865110) is [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid is CC1CC1C(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is GYGJLZMSTVHLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3.C2HF3O2/c1-11-7-13(11)16(21)20-9-17(10-20)8-12(4-6-22-17)23-15-14(18)3-2-5-19-15;3-2(4,5)1(6)7/h2-3,5,11-13H,4,6-10H2,1H3;(H,6,7).

What are the key properties of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid?

[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 434.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).