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

C18H24FNO3 — CID 118741213

IUPAC[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
SMILESCCOCC1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1
InChIInChI=1S/C18H24FNO3/c1-2-22-12-14-11-18(13-23-14)7-9-20(10-8-18)17(21)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3
InChIKeyTWGPHAOLVIYZNU-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.87
Rot. Bonds4

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

[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone (PubChem CID 118741213) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
PubChem CID118741213
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
SMILESCCOCC1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1
InChIInChI=1S/C18H24FNO3/c1-2-22-12-14-11-18(13-23-14)7-9-20(10-8-18)17(21)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3
InChIKeyTWGPHAOLVIYZNU-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone (CID 118741213) is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone is CCOCC1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1.
What is the InChIKey of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The InChIKey is TWGPHAOLVIYZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-2-22-12-14-11-18(13-23-14)7-9-20(10-8-18)17(21)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3.
What are the key properties of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone has a molecular weight of 321.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 118741213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).