2,6-Bis(trifluoromethyl)benzonitrile

C₉H₃F₆NCAS 25753-25-7239.12 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₉H₃F₆N
Molar mass: 239.12 g/mol
Exact mass: 239.0170 Da
logP: 3.60Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

25753-25-7

SMILES

C1=CC(=C(C(=C1)C(F)(F)F)C#N)C(F)(F)F

InChIKey

ANWBHDYEEOSTSE-UHFFFAOYSA-N

InChI

InChI=1S/C9H3F6N/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3H

Weigh it out

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

Work with 2,6-Bis(trifluoromethyl)benzonitrile

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

2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-375 % similar 2-(Trifluoromethyl)benzonitrile447-60-963 % similar 2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-158 % similar 1,2-Bis(trifluoromethyl)benzene433-95-457 % similar 2,3-Difluoro-6-(trifluoromethyl)benzonitrile186517-05-556 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-356 % similar 1-Iodo-2-(trifluoromethyl)benzene444-29-150 % similar 2-Chlorobenzotrifluoride88-16-450 % similar

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

Same formula

2,4-Bis(trifluoromethyl)benzonitrile177952-38-4 3,5-Bis(trifluoromethyl)benzonitrile27126-93-8

Elsewhere

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