6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

C8H10F3NO3 — CID 62302752

IUPAC6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-12-3-5(7(14)15)1-2-6(12)13/h5H,1-4H2,(H,14,15)
InChIKeyQFWVBVSTSRCUNQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds2

About 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid (PubChem CID 62302752) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
PubChem CID62302752
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-12-3-5(7(14)15)1-2-6(12)13/h5H,1-4H2,(H,14,15)
InChIKeyQFWVBVSTSRCUNQ-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid (CID 62302752) is 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The InChIKey is QFWVBVSTSRCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)4-12-3-5(7(14)15)1-2-6(12)13/h5H,1-4H2,(H,14,15).
What are the key properties of 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).