chempirical

5-(Trifluoromethoxy)isatin

C9H4F3NO3CAS 169037-23-4231.13 g/mol

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OFFFOONH
Alkyl halideAmideEtherKetoneLactam

Properties

Molecular formula
C9H4F3NO3
Molar mass
231.13 g/mol
Exact mass
231.0143 Da
logP
1.72Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
169037-23-4
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2
InChIKey
XHAJMVPMNOBILF-UHFFFAOYSA-N
InChI
InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)

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Names and synonyms

1 names
  • 5-(Trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione

Work with 5-(Trifluoromethoxy)isatin

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

5-Methoxyisatin39755-95-863 % similar 5-Chloroisatin17630-76-151 % similar 5-Iodoisatin20780-76-151 % similar 5-Methylisatin608-05-951 % similar 5-Bromoisatin87-48-951 % similar Isatin91-56-547 % similar 5-Trifluoromethoxysalicylic acid129644-57-146 % similar 2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-340 % similar

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

Elsewhere

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