(2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid

C8H12F3NO3 — CID 133268514

IUPAC(2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CC(=O)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11NO.C2HF3O2/c1-5-4-6(8)2-3-7-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKeyQGYSTDMFHTYSAV-NUBCRITNSA-N
MW227.18 g/mol
LogP0.96
Rot. Bonds

About (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid

(2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 133268514) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid
PubChem CID133268514
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name(2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CC(=O)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11NO.C2HF3O2/c1-5-4-6(8)2-3-7-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKeyQGYSTDMFHTYSAV-NUBCRITNSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid (CID 133268514) is (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid is C[C@@H]1CC(=O)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is QGYSTDMFHTYSAV-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11NO.C2HF3O2/c1-5-4-6(8)2-3-7-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1.
What are the key properties of (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid?
(2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 227.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 133268514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).