2,4-Bis(trifluoromethyl)benzonitrile

C₉H₃F₆NCAS 177952-38-4239.12 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

177952-38-4

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C#N

InChIKey

RQKXUWGXSNMDDS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,4-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-4-(trifluoromethyl)benzonitrile146070-34-066 % similar 4-Fluoro-2-trifluoromethylbenzonitrile194853-86-666 % similar 4-Hydroxy-2-(trifluoromethyl)benzonitrile320-42-366 % similar 4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-964 % similar 2-Amino-4-(trifluoromethyl)benzonitrile1483-54-164 % similar 2-Chloro-4-(trifluoromethyl)benzonitrile1813-33-864 % similar 4-Bromo-2-(trifluoromethyl)benzonitrile191165-13-664 % similar 4-Chloro-2-(trifluoromethyl)benzonitrile320-41-264 % similar

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

Same formula

2,6-Bis(trifluoromethyl)benzonitrile25753-25-7 3,5-Bis(trifluoromethyl)benzonitrile27126-93-8

Elsewhere

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