3-Amino-4-fluorobenzonitrile

C₇H₅FN₂CAS 859855-53-1136.13 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₅FN₂
Molar mass: 136.13 g/mol
Exact mass: 136.0437 Da
logP: 1.28Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

859855-53-1

SMILES

C1=CC(=C(C=C1C#N)N)F

InChIKey

BHMZMZOMQYFFQL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2

Weigh it out

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

Work with 3-Amino-4-fluorobenzonitrile

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

4-Amino-3-fluorobenzonitrile63069-50-172 % similar 3,4-Diaminobenzonitrile17626-40-364 % similar 3,4-Difluorobenzonitrile64248-62-064 % similar 3-Chloro-4-fluorobenzonitrile117482-84-556 % similar 4-Fluoro-3-methylbenzonitrile185147-08-456 % similar 3-Amino-4-chlorobenzonitrile53312-79-156 % similar 3-Amino-4-methylbenzonitrile60710-80-756 % similar 3-Bromo-4-fluorobenzonitrile79630-23-256 % similar

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

Same formula

2-Amino-3-fluorobenzonitrile115661-37-5 7-Fluoro-imidazo[1,2-A]pyridine1260903-17-0 3-Amino-5-fluorobenzonitrile210992-28-2 5-Cyano-2-fluoro-3-picoline261625-67-6 4-Fluoroindazole341-23-1 7-Fluoro-1H-indazole341-24-2 6-Fluoro-1H-indazole348-25-4 5-Fluoro-1H-indazole348-26-5

Elsewhere

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