1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione

C13H12F3NO2 — CID 79517938

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)11-4-2-1-3-9(11)8-17-6-5-10(18)7-12(17)19/h1-4H,5-8H2
InChIKeyMTXRCYJIDYIZPV-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.40
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione

1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione (PubChem CID 79517938) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
PubChem CID79517938
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)11-4-2-1-3-9(11)8-17-6-5-10(18)7-12(17)19/h1-4H,5-8H2
InChIKeyMTXRCYJIDYIZPV-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione
CID 79515562
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 115101791
7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
CID 139021244
1-(3-fluorobenzoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42377671
4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
CID 172685270
1-[(4-methylsulfanylphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42430143
1-[[4-(dimethylamino)phenyl]methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 26337012
1-(3-methylthiophene-2-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42320171
1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 26325331
1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42344492
4-[(3-fluorophenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 26327517

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione (CID 79517938) is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione is O=C1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione?
The InChIKey is MTXRCYJIDYIZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)11-4-2-1-3-9(11)8-17-6-5-10(18)7-12(17)19/h1-4H,5-8H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione?
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione has a molecular weight of 271.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione is sourced from PubChem (CID 79517938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).