3-Fluoro-5-(trifluoromethyl)benzonitrile

C₈H₃F₄NCAS 149793-69-1189.11 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₃F₄N
Molar mass: 189.11 g/mol
Exact mass: 189.0202 Da
logP: 2.72Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

149793-69-1

SMILES

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

InChIKey

AYNUKEDZAYOEGG-UHFFFAOYSA-N

InChI

InChI=1S/C8H3F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H

Weigh it out

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

Work with 3-Fluoro-5-(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

3,5-Bis(trifluoromethyl)benzonitrile27126-93-874 % similar 3,5-Difluorobenzonitrile64248-63-163 % similar 3-(Trifluoromethyl)benzonitrile368-77-455 % similar 4-(Trifluoromethyl)benzonitrile455-18-552 % similar 3-Bromo-5-fluorobenzonitrile179898-34-152 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-648 % similar 3-Fluoro-5-trifluoromethylaniline454-67-148 % similar B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-147 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-3 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-0 2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-1 4,5,6,7-Tetrafluoroindole16264-67-8 4-Fluoro-2-trifluoromethylbenzonitrile194853-86-6 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-7

Elsewhere

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