2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

C15H18FNO3 — CID 110156403

IUPAC2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C15H18FNO3/c16-12-4-1-3-11(7-12)8-14(19)17-9-13(18)15(10-17)5-2-6-20-15/h1,3-4,7,13,18H,2,5-6,8-10H2/t13-,15-/m0/s1
InChIKeyQGSAMZYRMDWMPH-ZFWWWQNUSA-N
MW279.31 g/mol
LogP1.12
Rot. Bonds2

About 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 110156403) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
PubChem CID110156403
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C15H18FNO3/c16-12-4-1-3-11(7-12)8-14(19)17-9-13(18)15(10-17)5-2-6-20-15/h1,3-4,7,13,18H,2,5-6,8-10H2/t13-,15-/m0/s1
InChIKeyQGSAMZYRMDWMPH-ZFWWWQNUSA-N
XLogP1.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (CID 110156403) is 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is O=C(Cc1cccc(F)c1)N1C[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The InChIKey is QGSAMZYRMDWMPH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-4-1-3-11(7-12)8-14(19)17-9-13(18)15(10-17)5-2-6-20-15/h1,3-4,7,13,18H,2,5-6,8-10H2/t13-,15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
2-(3-fluorophenyl)-1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 279.31 g/mol, XLogP of 1.12, 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,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 110156403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).