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

C10H13F3O4 — CID 162678889

IUPAC8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H13F3O4/c11-10(12,13)8(7(14)15)1-3-9(4-2-8)16-5-6-17-9/h1-6H2,(H,14,15)
InChIKeyWGDWROPFMBNCGP-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.94
Rot. Bonds1

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

8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 162678889) has the molecular formula C10H13F3O4 and a molecular weight of 254.20 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID162678889
Molecular FormulaC10H13F3O4
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H13F3O4/c11-10(12,13)8(7(14)15)1-3-9(4-2-8)16-5-6-17-9/h1-6H2,(H,14,15)
InChIKeyWGDWROPFMBNCGP-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 162678889) is 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1(C(F)(F)F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is WGDWROPFMBNCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O4/c11-10(12,13)8(7(14)15)1-3-9(4-2-8)16-5-6-17-9/h1-6H2,(H,14,15).
What are the key properties of 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 254.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 162678889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).