6-methyl-6-(trifluoromethyl)piperidine-2,4-dione

C7H8F3NO2 — CID 19898227

IUPAC6-methyl-6-(trifluoromethyl)piperidine-2,4-dione
SMILESCC1(C(F)(F)F)CC(=O)CC(=O)N1
InChIInChI=1S/C7H8F3NO2/c1-6(7(8,9)10)3-4(12)2-5(13)11-6/h2-3H2,1H3,(H,11,13)
InChIKeyLQORGARIVUFXRH-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.79
Rot. Bonds

About 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione

6-methyl-6-(trifluoromethyl)piperidine-2,4-dione (PubChem CID 19898227) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-6-(trifluoromethyl)piperidine-2,4-dione
PubChem CID19898227
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name6-methyl-6-(trifluoromethyl)piperidine-2,4-dione
SMILESCC1(C(F)(F)F)CC(=O)CC(=O)N1
InChIInChI=1S/C7H8F3NO2/c1-6(7(8,9)10)3-4(12)2-5(13)11-6/h2-3H2,1H3,(H,11,13)
InChIKeyLQORGARIVUFXRH-UHFFFAOYSA-N
XLogP0.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 15672703
propan-2-yl (2S)-2-methyl-4,6-dioxopiperidine-2-carboxylate
CID 56957646
2,2-dimethyl-1,3-oxazinane-4,6-dione
CID 154006806
5,5-dimethylpyrrolidine-2,4-dione
CID 13346709
(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid
CID 70469114
bis(5,5-dimethylcyclohexane-1,3-dione);sulfane
CID 68519610
6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione
CID 24974833
3-methyl-3-(trifluoromethyl)azetidin-2-one
CID 10888110
3-methyl-4,4-bis(trifluoromethyl)oxetan-2-one
CID 102249108
methyl 2-methyl-4,6-dioxo-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 18755553
4-fluoro-5,5-dimethylcyclohexane-1,3-dione
CID 14326953
(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 91421764

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione?
The IUPAC name of 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione (CID 19898227) is 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione.
What is the SMILES notation for 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione?
The canonical SMILES for 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione is CC1(C(F)(F)F)CC(=O)CC(=O)N1.
What is the InChIKey of 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione?
The InChIKey is LQORGARIVUFXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-6(7(8,9)10)3-4(12)2-5(13)11-6/h2-3H2,1H3,(H,11,13).
What are the key properties of 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione?
6-methyl-6-(trifluoromethyl)piperidine-2,4-dione has a molecular weight of 195.14 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(trifluoromethyl)piperidine-2,4-dione is sourced from PubChem (CID 19898227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).