8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C9H13FO4 — CID 130068044

IUPAC8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C9H13FO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6H2,(H,11,12)
InChIKeyKQHDASSDPZWSBF-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.10
Rot. Bonds1

About 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 130068044) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID130068044
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Name8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C9H13FO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6H2,(H,11,12)
InChIKeyKQHDASSDPZWSBF-UHFFFAOYSA-N
XLogP1.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 130068044) is 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is KQHDASSDPZWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6H2,(H,11,12).
What are the key properties of 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 204.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 130068044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).