1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid

C14H21F3N2O4 — CID 155850161

IUPAC1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCOC1)N1CCC12CCCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N2O2.C2HF3O2/c15-11(10-2-7-16-8-10)14-6-4-12(14)3-1-5-13-9-12;3-2(4,5)1(6)7/h10,13H,1-9H2;(H,6,7)
InChIKeyZQADCTQXBNNNMI-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.01
Rot. Bonds1

About 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid

1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155850161) has the molecular formula C14H21F3N2O4 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155850161
Molecular FormulaC14H21F3N2O4
Molecular Weight338.33 g/mol
Exact Mass338.15
IUPAC Name1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CCOC1)N1CCC12CCCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N2O2.C2HF3O2/c15-11(10-2-7-16-8-10)14-6-4-12(14)3-1-5-13-9-12;3-2(4,5)1(6)7/h10,13H,1-9H2;(H,6,7)
InChIKeyZQADCTQXBNNNMI-UHFFFAOYSA-N
XLogP1.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155850161) is 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid is O=C(C1CCOC1)N1CCC12CCCNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZQADCTQXBNNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C2HF3O2/c15-11(10-2-7-16-8-10)14-6-4-12(14)3-1-5-13-9-12;3-2(4,5)1(6)7/h10,13H,1-9H2;(H,6,7).
What are the key properties of 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid?
1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 338.33 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).