3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H15FN2O2 — CID 56773862

IUPAC3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1c1cccc(F)c1
InChIInChI=1S/C13H15FN2O2/c14-10-2-1-3-11(8-10)16-9-13(18-12(16)17)4-6-15-7-5-13/h1-3,8,15H,4-7,9H2
InChIKeyCHJIZJMFNIVWLC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.90
Rot. Bonds1

About 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56773862) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56773862
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1c1cccc(F)c1
InChIInChI=1S/C13H15FN2O2/c14-10-2-1-3-11(8-10)16-9-13(18-12(16)17)4-6-15-7-5-13/h1-3,8,15H,4-7,9H2
InChIKeyCHJIZJMFNIVWLC-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56773862) is 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CHJIZJMFNIVWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-2-1-3-11(8-10)16-9-13(18-12(16)17)4-6-15-7-5-13/h1-3,8,15H,4-7,9H2.
What are the key properties of 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56773862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).