3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H11FN2O3 — CID 64889036

IUPAC3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCOC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C12H11FN2O3/c13-8-3-1-2-4-9(8)15-10(16)12(14-11(15)17)5-6-18-7-12/h1-4H,5-7H2,(H,14,17)
InChIKeyMDLBEFVRBHBSKA-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.04
Rot. Bonds1

About 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 64889036) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID64889036
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCOC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C12H11FN2O3/c13-8-3-1-2-4-9(8)15-10(16)12(14-11(15)17)5-6-18-7-12/h1-4H,5-7H2,(H,14,17)
InChIKeyMDLBEFVRBHBSKA-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 64889036) is 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCOC2)C(=O)N1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MDLBEFVRBHBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-8-3-1-2-4-9(8)15-10(16)12(14-11(15)17)5-6-18-7-12/h1-4H,5-7H2,(H,14,17).
What are the key properties of 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 64889036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).