ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

C12H19FO5 — CID 79367386

IUPACethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)C(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C12H19FO5/c1-2-16-10(14)9(13)11(15)3-5-12(6-4-11)17-7-8-18-12/h9,15H,2-8H2,1H3
InChIKeyJJWYAXDUCVIPFE-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.94
Rot. Bonds3

About ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate (PubChem CID 79367386) has the molecular formula C12H19FO5 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
PubChem CID79367386
Molecular FormulaC12H19FO5
Molecular Weight262.28 g/mol
Exact Mass262.12
IUPAC Nameethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)C(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C12H19FO5/c1-2-16-10(14)9(13)11(15)3-5-12(6-4-11)17-7-8-18-12/h9,15H,2-8H2,1H3
InChIKeyJJWYAXDUCVIPFE-UHFFFAOYSA-N
XLogP0.94
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate (CID 79367386) is ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate is CCOC(=O)C(F)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is JJWYAXDUCVIPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO5/c1-2-16-10(14)9(13)11(15)3-5-12(6-4-11)17-7-8-18-12/h9,15H,2-8H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 262.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 79367386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).