chempirical

2-Fluoro-6-(trifluoromethyl)benzonitrile

C8H3F4NCAS 133116-83-3189.11 g/mol

Open in Covalent MOL file
FNFFF
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
133116-83-3
SMILES
C1=CC(=C(C(=C1)F)C#N)C(F)(F)F
InChIKey
OGQYJDHTHFAPRN-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H

Weigh it out

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

Work with 2-Fluoro-6-(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

2,6-Difluorobenzonitrile1897-52-564 % similar 2-Fluorobenzotrifluoride392-85-859 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-156 % similar 2-Chloro-6-fluorobenzonitrile668-45-155 % similar 2-(Trifluoromethyl)benzonitrile447-60-953 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 2-Cyano-3-fluorophenol140675-43-053 % similar 2-Amino-6-fluorobenzonitrile77326-36-453 % similar

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

Same formula

2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-0 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

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