chempirical

2,3,5-Trifluorobenzonitrile

C7H2F3NCAS 241154-09-6157.10 g/mol

Open in Covalent MOL file
NFFF
Aryl halideNitrile

Properties

Molecular formula
C7H2F3N
Molar mass
157.10 g/mol
Exact mass
157.0139 Da
logP
1.98Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
241154-09-6
SMILES
C1=C(C=C(C(=C1C#N)F)F)F
InChIKey
MMPKVFQMDMBXSG-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H

Weigh it out

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

Work with 2,3,5-Trifluorobenzonitrile

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

2,3,4,5-Tetrafluorobenzonitrile16582-93-764 % similar 2,4-Difluorobenzonitrile3939-09-157 % similar 2,5-Difluorobenzonitrile64248-64-257 % similar 1,2,3,5-Tetrafluorobenzene2367-82-056 % similar 2,3-Difluorobenzonitrile21524-39-052 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-250 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-545 % similar 1,2,5-Trifluoro-3-methylbenzene132992-29-145 % similar

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

Same formula

3,4,5-Trifluorobenzonitrile134227-45-5 2,3,6-Trifluorobenzonitrile136514-17-5 2,3,4-Trifluorobenzonitrile143879-80-5 2,4,5-Trifluorobenzonitrile98349-22-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook