4-Amino-2,5-difluorobenzonitrile

C₇H₄F₂N₂CAS 112279-61-5154.12 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₄F₂N₂
Molar mass: 154.12 g/mol
Exact mass: 154.0343 Da
logP: 1.42Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

112279-61-5

SMILES

C1=C(C(=CC(=C1F)N)F)C#N

InChIKey

LAPGMTOHOQPDGI-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2N2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2

Weigh it out

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

Work with 4-Amino-2,5-difluorobenzonitrile

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

2,4,5-Trifluorobenzonitrile98349-22-565 % similar 4-Chloro-2,5-difluorobenzonitrile135748-35-555 % similar 2,4,5-Trifluoroaniline367-34-054 % similar 4-Amino-2-fluorobenzonitrile53312-80-453 % similar 5-Amino-2-fluorobenzonitrile53312-81-553 % similar 4-Amino-3-fluorobenzonitrile63069-50-153 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-152 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-947 % similar

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

Elsewhere

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