6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid

C10H14F3NO4 — CID 62216077

IUPAC6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-4-3-14-5-7(9(16)17)1-2-8(14)15/h7H,1-6H2,(H,16,17)
InChIKeySVAZNQVHRUABEJ-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.89
Rot. Bonds5

About 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid

6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid (PubChem CID 62216077) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
PubChem CID62216077
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CCOCC(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-4-3-14-5-7(9(16)17)1-2-8(14)15/h7H,1-6H2,(H,16,17)
InChIKeySVAZNQVHRUABEJ-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid (CID 62216077) is 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CCOCC(F)(F)F)C1.
What is the InChIKey of 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid?
The InChIKey is SVAZNQVHRUABEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-18-4-3-14-5-7(9(16)17)1-2-8(14)15/h7H,1-6H2,(H,16,17).
What are the key properties of 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid?
6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62216077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).