8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C10H15FO4 — CID 162678887

IUPAC8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(CF)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO4/c11-7-9(8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7H2,(H,12,13)
InChIKeyPNHIAFOFRVXAGO-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.34
Rot. Bonds2

About 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 162678887) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID162678887
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(CF)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO4/c11-7-9(8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7H2,(H,12,13)
InChIKeyPNHIAFOFRVXAGO-UHFFFAOYSA-N
XLogP1.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 162678887) is 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1(CF)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is PNHIAFOFRVXAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c11-7-9(8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7H2,(H,12,13).
What are the key properties of 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 162678887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).