chempirical

4-Amino-2-fluorobenzonitrile

C7H5FN2CAS 53312-80-4136.13 g/mol

Open in Covalent MOL file
NNH2F
Aryl halideNitrilePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
53312-80-4
SMILES
N#Cc1ccc(N)cc1F
InChIKey
FDUGOYTWYJZNNP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2

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

Names and synonyms

3 names
  • Benzonitrile, 4-amino-2-fluoro-
  • 2-Fluoro-4-aminobenzonitrile
  • 4-Cyano-3-fluoroaniline

Work with 4-Amino-2-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-1,2-benzenedicarbonitrile56765-79-864 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 2,4-Difluorobenzonitrile3939-09-160 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-558 % similar 4-Bromo-2-fluorobenzonitrile105942-08-356 % similar 2-Fluoro-4-iodobenzonitrile137553-42-556 % similar 4-Amino-2-chlorobenzonitrile20925-27-356 % similar 4-Chloro-2-fluorobenzonitrile57381-51-856 % 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 5-Fluoro-1H-indazole348-26-5 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-7 5-Amino-2-fluorobenzonitrile53312-81-5 4-Amino-3-fluorobenzonitrile63069-50-1 4-Fluoro-1H-pyrrolo[2,3-B]pyridine640735-23-5 2-Amino-6-fluorobenzonitrile77326-36-4

Elsewhere

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