chempirical

7-Trifluoromethylisatin

C9H4F3NO2CAS 391-12-8215.13 g/mol

Open in Covalent MOL file
FFFHNOO
Alkyl halideAmideKetoneLactam

Properties

Molecular formula
C9H4F3NO2
Molar mass
215.13 g/mol
Exact mass
215.0194 Da
logP
1.84Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
391-12-8
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O
InChIKey
MXLDJTXXAYVWDF-UHFFFAOYSA-N
InChI
InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)

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Names and synonyms

1 names
  • 7-(Trifluoromethyl)indoline-2,3-dione

Work with 7-Trifluoromethylisatin

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

7-Fluoroisatin317-20-459 % similar 7-Bromoisatin20780-74-957 % similar 7-Methylisatin1127-59-955 % similar 2,3-Dioxoindoline-7-carboxylic acid25128-35-254 % similar Isatin91-56-547 % similar 2-(Trifluoromethyl)benzoic acid hydrazide344-95-644 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-944 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-743 % similar

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

Same formula

6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-1 5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-4

Elsewhere

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