8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid

C10H13FO4 — CID 174161349

IUPAC8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
SMILESCC1(C(=O)O)CC2(CC=C1F)OCCO2
InChIInChI=1S/C10H13FO4/c1-9(8(12)13)6-10(3-2-7(9)11)14-4-5-15-10/h2H,3-6H2,1H3,(H,12,13)
InChIKeyIPDXISIOSWQCQQ-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.47
Rot. Bonds1

About 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid

8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid (PubChem CID 174161349) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
PubChem CID174161349
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
SMILESCC1(C(=O)O)CC2(CC=C1F)OCCO2
InChIInChI=1S/C10H13FO4/c1-9(8(12)13)6-10(3-2-7(9)11)14-4-5-15-10/h2H,3-6H2,1H3,(H,12,13)
InChIKeyIPDXISIOSWQCQQ-UHFFFAOYSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
The IUPAC name of 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid (CID 174161349) is 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid.
What is the SMILES notation for 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
The canonical SMILES for 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid is CC1(C(=O)O)CC2(CC=C1F)OCCO2.
What is the InChIKey of 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
The InChIKey is IPDXISIOSWQCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c1-9(8(12)13)6-10(3-2-7(9)11)14-4-5-15-10/h2H,3-6H2,1H3,(H,12,13).
What are the key properties of 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid has a molecular weight of 216.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid is sourced from PubChem (CID 174161349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).