ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate

C11H17FO4 — CID 67960160

IUPACethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C11H17FO4/c1-2-14-9(13)10(12)3-5-11(6-4-10)15-7-8-16-11/h2-8H2,1H3
InChIKeyQIKUVGPOFUCQMF-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.57
Rot. Bonds2

About ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 67960160) has the molecular formula C11H17FO4 and a molecular weight of 232.25 g/mol. Its IUPAC name is ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID67960160
Molecular FormulaC11H17FO4
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Nameethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C11H17FO4/c1-2-14-9(13)10(12)3-5-11(6-4-10)15-7-8-16-11/h2-8H2,1H3
InChIKeyQIKUVGPOFUCQMF-UHFFFAOYSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 67960160) is ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(F)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is QIKUVGPOFUCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO4/c1-2-14-9(13)10(12)3-5-11(6-4-10)15-7-8-16-11/h2-8H2,1H3.
What are the key properties of ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 232.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 67960160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).