2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C16H20FNO4 — CID 110156703

IUPAC2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C16H20FNO4/c17-12-3-1-4-13(9-12)21-10-15(20)18-7-5-14(19)16(11-18)6-2-8-22-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1
InChIKeyXZEMCYLAHYHSDB-HOCLYGCPSA-N
MW309.34 g/mol
LogP1.35
Rot. Bonds3

About 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 110156703) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID110156703
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C16H20FNO4/c17-12-3-1-4-13(9-12)21-10-15(20)18-7-5-14(19)16(11-18)6-2-8-22-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1
InChIKeyXZEMCYLAHYHSDB-HOCLYGCPSA-N
XLogP1.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97156389
2-(3-fluorophenoxy)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72939846
2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156402
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081
(6R,11R)-8-[2-(4-fluorophenoxy)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691057
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496
1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-(3-fluorophenoxy)ethanone
CID 95723952
(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128979442
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 110156703) is 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(COc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is XZEMCYLAHYHSDB-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H20FNO4/c17-12-3-1-4-13(9-12)21-10-15(20)18-7-5-14(19)16(11-18)6-2-8-22-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1.
What are the key properties of 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 309.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 110156703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).