1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C12H13FN2O2 — CID 84798050

IUPAC1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1c1ccccc1F
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-2-4-10(9)15-11(16)17-8-12(15)5-6-14-7-12/h1-4,14H,5-8H2
InChIKeySALJGNLDFDCQDT-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.51
Rot. Bonds1

About 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 84798050) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID84798050
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1c1ccccc1F
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-2-4-10(9)15-11(16)17-8-12(15)5-6-14-7-12/h1-4,14H,5-8H2
InChIKeySALJGNLDFDCQDT-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 84798050) is 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is O=C1OCC2(CCNC2)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is SALJGNLDFDCQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-1-2-4-10(9)15-11(16)17-8-12(15)5-6-14-7-12/h1-4,14H,5-8H2.
What are the key properties of 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 84798050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).