3-fluoro-8-oxaspiro[4.5]decane-7,9-dione

C9H11FO3 — CID 71585922

IUPAC3-fluoro-8-oxaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCC(F)C2)CC(=O)O1
InChIInChI=1S/C9H11FO3/c10-6-1-2-9(3-6)4-7(11)13-8(12)5-9/h6H,1-5H2
InChIKeyGMWAJWBZPNIUTB-UHFFFAOYSA-N
MW186.18 g/mol
LogP1.36
Rot. Bonds

About 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione

3-fluoro-8-oxaspiro[4.5]decane-7,9-dione (PubChem CID 71585922) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name3-fluoro-8-oxaspiro[4.5]decane-7,9-dione
PubChem CID71585922
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name3-fluoro-8-oxaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCC(F)C2)CC(=O)O1
InChIInChI=1S/C9H11FO3/c10-6-1-2-9(3-6)4-7(11)13-8(12)5-9/h6H,1-5H2
InChIKeyGMWAJWBZPNIUTB-UHFFFAOYSA-N
XLogP1.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione with MolForge

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

Launch Full Analysis

Related Compounds

3,9-dioxaspiro[5.5]undecane-2,4-dione
CID 138991363
6-fluorospiro[7.7]pentadecane
CID 129221884
9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 64746674
3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
CID 119092959
7-ethenylidene-8-oxaspiro[4.5]decan-9-one
CID 143819117
11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
CID 141130807
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
(1R,2R,4S)-spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 131985112
2-oxaspiro[4.4]nonane-1,3-dione
CID 2737102
7-hydroxy-5-methyl-2-oxabicyclo[3.2.2]nonan-3-one
CID 130144142
(3aR,9aS,9bR)-8-fluoro-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 164887829
9-butyl-2-oxaspiro[4.4]nonane-1,3-dione
CID 121016385

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione?
The IUPAC name of 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione (CID 71585922) is 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione is O=C1CC2(CCC(F)C2)CC(=O)O1.
What is the InChIKey of 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione?
The InChIKey is GMWAJWBZPNIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3/c10-6-1-2-9(3-6)4-7(11)13-8(12)5-9/h6H,1-5H2.
What are the key properties of 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione?
3-fluoro-8-oxaspiro[4.5]decane-7,9-dione has a molecular weight of 186.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-oxaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 71585922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).