8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C21H20FNO2 — CID 12832700

IUPAC8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(c2ccc(F)cc2)C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-14-20(24)25-21(19)10-12-23(13-11-21)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyFGDWZRXYWPDMJS-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.80
Rot. Bonds3

About 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 12832700) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID12832700
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(c2ccc(F)cc2)C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-14-20(24)25-21(19)10-12-23(13-11-21)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyFGDWZRXYWPDMJS-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 12832700) is 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is O=C1C=C(c2ccc(F)cc2)C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is FGDWZRXYWPDMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-14-20(24)25-21(19)10-12-23(13-11-21)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2.
What are the key properties of 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 337.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 12832700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).