3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid

C11H14F3NO3 — CID 105359939

IUPAC3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESO=C1CC2(CCCC(C(F)(F)F)C2)C(C(=O)O)N1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)6-2-1-3-10(4-6)5-7(16)15-8(10)9(17)18/h6,8H,1-5H2,(H,15,16)(H,17,18)
InChIKeyJBEFKSWOPSGZOS-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.70
Rot. Bonds1

About 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid

3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359939) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359939
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESO=C1CC2(CCCC(C(F)(F)F)C2)C(C(=O)O)N1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)6-2-1-3-10(4-6)5-7(16)15-8(10)9(17)18/h6,8H,1-5H2,(H,15,16)(H,17,18)
InChIKeyJBEFKSWOPSGZOS-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359939) is 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid is O=C1CC2(CCCC(C(F)(F)F)C2)C(C(=O)O)N1.
What is the InChIKey of 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is JBEFKSWOPSGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)6-2-1-3-10(4-6)5-7(16)15-8(10)9(17)18/h6,8H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid?
3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).