4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

C11H14F2O4 — CID 70912270

IUPAC4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)C(=O)OC2(OC(=O)C(C)(C)C2F)C1F
InChIInChI=1S/C11H14F2O4/c1-9(2)5(12)11(16-7(9)14)6(13)10(3,4)8(15)17-11/h5-6H,1-4H3
InChIKeyWEMUWGRYTOJWPG-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.52
Rot. Bonds

About 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione

4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (PubChem CID 70912270) has the molecular formula C11H14F2O4 and a molecular weight of 248.22 g/mol. Its IUPAC name is 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
PubChem CID70912270
Molecular FormulaC11H14F2O4
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
SMILESCC1(C)C(=O)OC2(OC(=O)C(C)(C)C2F)C1F
InChIInChI=1S/C11H14F2O4/c1-9(2)5(12)11(16-7(9)14)6(13)10(3,4)8(15)17-11/h5-6H,1-4H3
InChIKeyWEMUWGRYTOJWPG-UHFFFAOYSA-N
XLogP1.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione (CID 70912270) is 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is CC1(C)C(=O)OC2(OC(=O)C(C)(C)C2F)C1F.
What is the InChIKey of 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
The InChIKey is WEMUWGRYTOJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O4/c1-9(2)5(12)11(16-7(9)14)6(13)10(3,4)8(15)17-11/h5-6H,1-4H3.
What are the key properties of 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione?
4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione has a molecular weight of 248.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-difluoro-3,3,8,8-tetramethyl-1,6-dioxaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 70912270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).