16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione

C21H25FO3 — CID 573696

IUPAC16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
SMILESO=C1OC(c2ccc(F)cc2)C2(CCCCC2)C(=O)C12CCCCC2
InChIInChI=1S/C21H25FO3/c22-16-9-7-15(8-10-16)17-20(11-3-1-4-12-20)18(23)21(19(24)25-17)13-5-2-6-14-21/h7-10,17H,1-6,11-14H2
InChIKeyLPZPFNMMDIKXPH-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.89
Rot. Bonds1

About 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione

16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione (PubChem CID 573696) has the molecular formula C21H25FO3 and a molecular weight of 344.43 g/mol. Its IUPAC name is 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione.

Molecular Properties

Compound Name16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
PubChem CID573696
Molecular FormulaC21H25FO3
Molecular Weight344.43 g/mol
Exact Mass344.18
IUPAC Name16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
SMILESO=C1OC(c2ccc(F)cc2)C2(CCCCC2)C(=O)C12CCCCC2
InChIInChI=1S/C21H25FO3/c22-16-9-7-15(8-10-16)17-20(11-3-1-4-12-20)18(23)21(19(24)25-17)13-5-2-6-14-21/h7-10,17H,1-6,11-14H2
InChIKeyLPZPFNMMDIKXPH-UHFFFAOYSA-N
XLogP4.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
The IUPAC name of 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione (CID 573696) is 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione.
What is the SMILES notation for 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
The canonical SMILES for 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione is O=C1OC(c2ccc(F)cc2)C2(CCCCC2)C(=O)C12CCCCC2.
What is the InChIKey of 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
The InChIKey is LPZPFNMMDIKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FO3/c22-16-9-7-15(8-10-16)17-20(11-3-1-4-12-20)18(23)21(19(24)25-17)13-5-2-6-14-21/h7-10,17H,1-6,11-14H2.
What are the key properties of 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione?
16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione has a molecular weight of 344.43 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione is sourced from PubChem (CID 573696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).