1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C14H16FNO2 — CID 66393870

IUPAC1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(C1)O2)c1ccccc1F
InChIInChI=1S/C14H16FNO2/c15-13-4-2-1-3-12(13)14(17)9-16-7-10-5-6-11(8-16)18-10/h1-4,10-11H,5-9H2
InChIKeySJZOTVOPSOPYJM-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 66393870) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID66393870
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(C1)O2)c1ccccc1F
InChIInChI=1S/C14H16FNO2/c15-13-4-2-1-3-12(13)14(17)9-16-7-10-5-6-11(8-16)18-10/h1-4,10-11H,5-9H2
InChIKeySJZOTVOPSOPYJM-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 66393870) is 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is O=C(CN1CC2CCC(C1)O2)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is SJZOTVOPSOPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-13-4-2-1-3-12(13)14(17)9-16-7-10-5-6-11(8-16)18-10/h1-4,10-11H,5-9H2.
What are the key properties of 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 249.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 66393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).