chempirical

2,3,4,5-Tetrafluorobenzonitrile

C7HF4NCAS 16582-93-7175.09 g/mol

Open in Covalent MOL file
FFFFN
Aryl halideNitrile

Properties

Molecular formula
C7HF4N
Molar mass
175.09 g/mol
Exact mass
175.0045 Da
logP
2.11Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
16582-93-7
SMILES
C1=C(C(=C(C(=C1F)F)F)F)C#N
InChIKey
GLTGXIGJLCSEAM-UHFFFAOYSA-N
InChI
InChI=1S/C7HF4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H

Weigh it out

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

Work with 2,3,4,5-Tetrafluorobenzonitrile

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

2,3,5-Trifluorobenzonitrile241154-09-664 % similar 2,3,4-Trifluorobenzonitrile143879-80-563 % similar 2,4,5-Trifluorobenzonitrile98349-22-558 % similar 3,4,5-Trifluorobenzonitrile134227-45-556 % similar Pentafluorobenzene363-72-452 % similar 2-Chloro-4,5-difluorobenzonitrile135748-34-450 % similar 2,3-Difluorobenzonitrile21524-39-050 % similar 2,5-Difluoro-4-methylbenzonitrile1003708-66-448 % similar

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

Elsewhere

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