2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid

C7H8F3NO3 — CID 42951950

IUPAC2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyLZNMZDLBBNVQQL-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.53
Rot. Bonds1

About 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid

2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid (PubChem CID 42951950) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid
PubChem CID42951950
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyLZNMZDLBBNVQQL-UHFFFAOYSA-N
XLogP0.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid (CID 42951950) is 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid is O=C(O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid?
The InChIKey is LZNMZDLBBNVQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)4-2-1-3(6(13)14)5(12)11-4/h3-4H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid?
2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 42951950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).