4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

C8H9FO4 — CID 89419588

IUPAC4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(F)CC(=O)OC12CCC(=O)O2
InChIInChI=1S/C8H9FO4/c1-7(9)4-6(11)13-8(7)3-2-5(10)12-8/h2-4H2,1H3
InChIKeyVGDLLXULBYDNHD-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.69
Rot. Bonds

About 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (PubChem CID 89419588) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
PubChem CID89419588
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(F)CC(=O)OC12CCC(=O)O2
InChIInChI=1S/C8H9FO4/c1-7(9)4-6(11)13-8(7)3-2-5(10)12-8/h2-4H2,1H3
InChIKeyVGDLLXULBYDNHD-UHFFFAOYSA-N
XLogP0.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione with MolForge

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Related Compounds

4-Fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 70912269
4,9-Difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 70912270
3,3,4,4,8,8,9,9-Octamethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 19810817
3,4,8,9-Tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 19810824
3,8-Dimethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 19810828
3,3,8,8-Tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 19877220
4,9-Diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 23043263
3-Methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 67903610
3,8-Diethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 67903693

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (CID 89419588) is 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is CC1(F)CC(=O)OC12CCC(=O)O2.
What is the InChIKey of 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The InChIKey is VGDLLXULBYDNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c1-7(9)4-6(11)13-8(7)3-2-5(10)12-8/h2-4H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione has a molecular weight of 188.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 89419588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).