8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C18H25F3N2O4 — CID 118743260

IUPAC8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(c1cccnc1)CO2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O2.C2HF3O2/c1-19-10-9-18-7-4-16(5-8-18)11-15(13-20-16)14-3-2-6-17-12-14;3-2(4,5)1(6)7/h2-3,6,12,15H,4-5,7-11,13H2,1H3;(H,6,7)
InChIKeyZTDDAECDSOLZPY-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.70
Rot. Bonds4

About 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid

8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 118743260) has the molecular formula C18H25F3N2O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID118743260
Molecular FormulaC18H25F3N2O4
Molecular Weight390.40 g/mol
Exact Mass390.18
IUPAC Name8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(c1cccnc1)CO2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O2.C2HF3O2/c1-19-10-9-18-7-4-16(5-8-18)11-15(13-20-16)14-3-2-6-17-12-14;3-2(4,5)1(6)7/h2-3,6,12,15H,4-5,7-11,13H2,1H3;(H,6,7)
InChIKeyZTDDAECDSOLZPY-UHFFFAOYSA-N
XLogP2.70
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 118743260) is 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid is COCCN1CCC2(CC1)CC(c1cccnc1)CO2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is ZTDDAECDSOLZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2HF3O2/c1-19-10-9-18-7-4-16(5-8-18)11-15(13-20-16)14-3-2-6-17-12-14;3-2(4,5)1(6)7/h2-3,6,12,15H,4-5,7-11,13H2,1H3;(H,6,7).
What are the key properties of 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 390.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).