chempirical

2-Fluoro-3-(trifluoromethyl)benzonitrile

C8H3F4NCAS 146070-35-1189.11 g/mol

Open in Covalent MOL file
FFFFN
Alkyl halideAryl halideNitrile

Properties

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

Identifiers

CAS number
146070-35-1
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)F)C#N
InChIKey
NMWOWGXPPBIZNH-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F4N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H

Weigh it out

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

Work with 2-Fluoro-3-(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-(Trifluoromethyl)benzonitrile447-60-969 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-362 % similar 2,3-Difluorobenzonitrile21524-39-056 % similar 3-Chloro-2-fluorobenzonitrile94087-40-855 % similar 2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile239087-10-654 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-852 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-150 % 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 3-Fluoro-5-(trifluoromethyl)benzonitrile149793-69-1 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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