14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione

C14H15FO3 — CID 102125709

IUPAC14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione
SMILESO=C1OC(=O)C23C4CCC(C4)C12C1CCC3C1F
InChIInChI=1S/C14H15FO3/c15-10-8-3-4-9(10)14-7-2-1-6(5-7)13(8,14)11(16)18-12(14)17/h6-10H,1-5H2
InChIKeyGKOUYPZBXRYUDA-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.85
Rot. Bonds

About 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione

14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione (PubChem CID 102125709) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione.

Molecular Properties

Compound Name14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione
PubChem CID102125709
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione
SMILESO=C1OC(=O)C23C4CCC(C4)C12C1CCC3C1F
InChIInChI=1S/C14H15FO3/c15-10-8-3-4-9(10)14-7-2-1-6(5-7)13(8,14)11(16)18-12(14)17/h6-10H,1-5H2
InChIKeyGKOUYPZBXRYUDA-UHFFFAOYSA-N
XLogP1.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.85
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 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione?
The IUPAC name of 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione (CID 102125709) is 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione.
What is the SMILES notation for 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione?
The canonical SMILES for 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione is O=C1OC(=O)C23C4CCC(C4)C12C1CCC3C1F.
What is the InChIKey of 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione?
The InChIKey is GKOUYPZBXRYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c15-10-8-3-4-9(10)14-7-2-1-6(5-7)13(8,14)11(16)18-12(14)17/h6-10H,1-5H2.
What are the key properties of 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione?
14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione has a molecular weight of 250.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-12-oxapentacyclo[4.4.3.12,5.17,10.01,6]pentadecane-11,13-dione is sourced from PubChem (CID 102125709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).