2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid

C11H16F3NO3 — CID 55176306

IUPAC2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCC(F)(F)F)C(C)C1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-6-5-8(16)15(4-3-11(12,13)14)7(2)9(6)10(17)18/h6-7,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyPHEQUWMYFGLWGO-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds3

About 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid (PubChem CID 55176306) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid
PubChem CID55176306
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCC(F)(F)F)C(C)C1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-6-5-8(16)15(4-3-11(12,13)14)7(2)9(6)10(17)18/h6-7,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyPHEQUWMYFGLWGO-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid (CID 55176306) is 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid is CC1CC(=O)N(CCC(F)(F)F)C(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid?
The InChIKey is PHEQUWMYFGLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-6-5-8(16)15(4-3-11(12,13)14)7(2)9(6)10(17)18/h6-7,9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55176306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).