1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C14H16FNO3 — CID 66392126

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(C1)O2)c1cc(F)ccc1O
InChIInChI=1S/C14H16FNO3/c15-9-1-4-13(17)12(5-9)14(18)8-16-6-10-2-3-11(7-16)19-10/h1,4-5,10-11,17H,2-3,6-8H2
InChIKeyHSJZVCNDIOPOSL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.58
Rot. Bonds3

About 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 66392126) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID66392126
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(C1)O2)c1cc(F)ccc1O
InChIInChI=1S/C14H16FNO3/c15-9-1-4-13(17)12(5-9)14(18)8-16-6-10-2-3-11(7-16)19-10/h1,4-5,10-11,17H,2-3,6-8H2
InChIKeyHSJZVCNDIOPOSL-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone with MolForge

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Related Compounds

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CID 43227708
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CID 43792786
1-[5-Fluoro-2-hydroxy-3-[(2-methylmorpholin-4-yl)methyl]phenyl]ethanone
CID 43792796
1-[3-[(2-Ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 66392126) is 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is O=C(CN1CC2CCC(C1)O2)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is HSJZVCNDIOPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-9-1-4-13(17)12(5-9)14(18)8-16-6-10-2-3-11(7-16)19-10/h1,4-5,10-11,17H,2-3,6-8H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 265.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 66392126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).