chempirical

4-(Trifluoromethyl)-1H-indole

C9H6F3NCAS 128562-95-8185.15 g/mol

Open in Covalent MOL file
NHFFF
Alkyl halide

Properties

Molecular formula
C9H6F3N
Molar mass
185.15 g/mol
Exact mass
185.0452 Da
logP
3.19Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
128562-95-8
SMILES
C1=CC(=C2C=CNC2=C1)C(F)(F)F
InChIKey
YTVBZSLUNRYKID-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(Trifluoromethyl)-1H-indole

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

4-Chloroindole25235-85-248 % similar 4-Bromoindole52488-36-548 % similar 4-Methylindole16096-32-547 % similar 1H-Indol-4-ol2380-94-147 % similar 1,2-Bis(trifluoromethyl)benzene433-95-444 % similar 3-(Trifluoromethyl)pyridine-2-thiol104040-74-644 % similar Indole-4-methanol1074-85-743 % similar Indole-4-carboxaldehyde1074-86-843 % similar

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

Same formula

5-(Trifluoromethyl)-1H-indole100846-24-0 6-(Trifluoromethyl)indole13544-43-9 4-(Trifluoromethyl)benzeneacetonitrile2338-75-2 [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-3 2-(Trifluoromethyl)benzeneacetonitrile3038-47-9

Elsewhere

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