(2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one

C19H25F3N2O3 — CID 170374482

About (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one

(2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one (PubChem CID 170374482) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one.

Molecular Properties

• Compound Name: (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one
• PubChem CID: 170374482
• Molecular Formula: C19H25F3N2O3
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.18
• IUPAC Name: (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one
• SMILES: CC[C@H](CO)C(=O)N1CC2(CCC(Oc3cccc(C(F)(F)F)n3)CC2)C1
• InChI: InChI=1S/C19H25F3N2O3/c1-2-13(10-25)17(26)24-11-18(12-24)8-6-14(7-9-18)27-16-5-3-4-15(23-16)19(20,21)22/h3-5,13-14,25H,2,6-12H2,1H3/t13-/m1/s1
• InChIKey: YZCJFVBGTVQFHY-CYBMUJFWSA-N
• XLogP: 3.27
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one?

The IUPAC name of (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one (CID 170374482) is (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one.

What is the SMILES notation for (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one?

The canonical SMILES for (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one is CC[C@H](CO)C(=O)N1CC2(CCC(Oc3cccc(C(F)(F)F)n3)CC2)C1.

What is the InChIKey of (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one?

The InChIKey is YZCJFVBGTVQFHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-2-13(10-25)17(26)24-11-18(12-24)8-6-14(7-9-18)27-16-5-3-4-15(23-16)19(20,21)22/h3-5,13-14,25H,2,6-12H2,1H3/t13-/m1/s1.

What are the key properties of (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one?

(2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one has a molecular weight of 386.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(hydroxymethyl)-1-[7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2-azaspiro[3.5]nonan-2-yl]butan-1-one is sourced from PubChem (CID 170374482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).