chempirical

2,3,4-Trifluorobenzonitrile

C7H2F3NCAS 143879-80-5157.10 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
143879-80-5
SMILES
C1=CC(=C(C(=C1C#N)F)F)F
InChIKey
KTPHYLJFAZNALV-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H

Weigh it out

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

Work with 2,3,4-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-Difluorobenzonitrile21524-39-067 % similar 2,4-Difluoro-3-methoxybenzonitrile220353-20-859 % similar 2,3-Difluoro-4-hydroxybenzonitrile126162-38-759 % similar 1,2,3,4-Tetrafluorobenzene551-62-255 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-553 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-653 % similar 2-Fluorobenzonitrile394-47-852 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-650 % 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 2,4,5-Trifluorobenzonitrile98349-22-5

Elsewhere

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