1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone

C19H26FNO3 — CID 131657098

IUPAC1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone
SMILESCCOCC1CC2(CCN(C(=O)Cc3ccccc3F)CC2)CO1
InChIInChI=1S/C19H26FNO3/c1-2-23-13-16-12-19(14-24-16)7-9-21(10-8-19)18(22)11-15-5-3-4-6-17(15)20/h3-6,16H,2,7-14H2,1H3
InChIKeyGLTABRGWQNSDQR-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.80
Rot. Bonds5

About 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone

1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 131657098) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone
PubChem CID131657098
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone
SMILESCCOCC1CC2(CCN(C(=O)Cc3ccccc3F)CC2)CO1
InChIInChI=1S/C19H26FNO3/c1-2-23-13-16-12-19(14-24-16)7-9-21(10-8-19)18(22)11-15-5-3-4-6-17(15)20/h3-6,16H,2,7-14H2,1H3
InChIKeyGLTABRGWQNSDQR-UHFFFAOYSA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone (CID 131657098) is 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone is CCOCC1CC2(CCN(C(=O)Cc3ccccc3F)CC2)CO1.
What is the InChIKey of 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is GLTABRGWQNSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-2-23-13-16-12-19(14-24-16)7-9-21(10-8-19)18(22)11-15-5-3-4-6-17(15)20/h3-6,16H,2,7-14H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone?
1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 335.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 131657098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).