2-Fluoro-4-(trifluoromethyl)benzonitrile

C₈H₃F₄NCAS 146070-34-0189.11 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

146070-34-0

SMILES

N#Cc1ccc(C(F)(F)F)cc1F

InChIKey

JLTYVTXTSOYXMX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 2-fluoro-4-(trifluoromethyl)-

Work with 2-Fluoro-4-(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-Amino-4-(trifluoromethyl)benzonitrile1483-54-162 % similar 2-Bromo-4-(trifluoromethyl)benzonitrile35764-15-962 % similar 2-Bromo-5-(trifluoromethyl)benzonitrile1483-55-257 % similar 2-Chloro-5-(trifluoromethyl)benzonitrile328-87-057 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-656 % similar 2,4-Difluorobenzonitrile3939-09-156 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-555 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-3 2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-1 3-Fluoro-5-(trifluoromethyl)benzonitrile149793-69-1 4,5,6,7-Tetrafluoroindole16264-67-8 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook