4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

C11H15FO4 — CID 70912269

IUPAC4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)CC2(OC1=O)OC(=O)C(C)(C)C2F
InChIInChI=1S/C11H15FO4/c1-9(2)5-11(15-7(9)13)6(12)10(3,4)8(14)16-11/h6H,5H2,1-4H3
InChIKeyOSEINDDLMLQOSJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.58
Rot. Bonds

About 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (PubChem CID 70912269) has the molecular formula C11H15FO4 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
PubChem CID70912269
Molecular FormulaC11H15FO4
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)CC2(OC1=O)OC(=O)C(C)(C)C2F
InChIInChI=1S/C11H15FO4/c1-9(2)5-11(15-7(9)13)6(12)10(3,4)8(14)16-11/h6H,5H2,1-4H3
InChIKeyOSEINDDLMLQOSJ-UHFFFAOYSA-N
XLogP1.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (CID 70912269) is 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is CC1(C)CC2(OC1=O)OC(=O)C(C)(C)C2F.
What is the InChIKey of 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The InChIKey is OSEINDDLMLQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4/c1-9(2)5-11(15-7(9)13)6(12)10(3,4)8(14)16-11/h6H,5H2,1-4H3.
What are the key properties of 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione has a molecular weight of 230.23 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 70912269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).