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

C16H20FNO3 — CID 110156402

IUPAC2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C16H20FNO3/c17-13-4-1-3-12(9-13)10-15(20)18-7-5-14(19)16(11-18)6-2-8-21-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1
InChIKeyCTDDITPMGZDBPE-HOCLYGCPSA-N
MW293.34 g/mol
LogP1.51
Rot. Bonds2

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

2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 110156402) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID110156402
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C16H20FNO3/c17-13-4-1-3-12(9-13)10-15(20)18-7-5-14(19)16(11-18)6-2-8-21-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1
InChIKeyCTDDITPMGZDBPE-HOCLYGCPSA-N
XLogP1.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156721
2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156703
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110159723
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110156945
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976
2-(3-fluorophenyl)-1-[8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131642303
1-[(2R,5R)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-2-(3-fluorophenyl)ethanone
CID 97385828
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
2-(3-fluorophenyl)-1-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124505549
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 110156877

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 110156402) is 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is CTDDITPMGZDBPE-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-4-1-3-12(9-13)10-15(20)18-7-5-14(19)16(11-18)6-2-8-21-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 293.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 110156402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).