1-(3-(Trifluoromethyl)phenyl)-1H-pyrrole-2,5-dione

C₁₁H₆F₃NO₂CAS 53629-19-9241.17 g/mol

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Alkene Alkyl halide Amide Lactam

Properties

Molecular formula: C₁₁H₆F₃NO₂
Molar mass: 241.17 g/mol
Exact mass: 241.0351 Da
logP: 2.13Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53629-19-9

SMILES

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(F)(F)F

InChIKey

DQGGHYHHYCKIMR-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-6H

Weigh it out

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Names and synonyms

1 names

1-(3-Trifluoromethyl-phenyl)-pyrrole-2,5-dione

Work with 1-(3-(Trifluoromethyl)phenyl)-1H-pyrrole-2,5-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

M-Phenylenebismaleimide3006-93-766 % similar 1-(3-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1204-35-958 % similar N-Phenylmaleimide941-69-553 % similar 3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid17057-07-751 % similar 1-(3-Methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione3007-23-651 % similar 1,4-Phenylenebismaleimide3278-31-748 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-248 % similar 3,3'-Bis(trifluoromethyl)benzophenone1868-00-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione34520-59-7 2-(Trifluoromethyl)-3-quinolinecarboxylic acid587886-26-8 4-(Trifluoromethyl)-2-quinolinecarboxylic acid588702-67-4

Elsewhere

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