chempirical

4-Amino-3-fluorobenzonitrile

C7H5FN2CAS 63069-50-1136.13 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
63069-50-1
SMILES
N#Cc1ccc(N)c(F)c1
InChIKey
RLMBRRQWBTWGMB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2

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

Names and synonyms

5 names
  • Benzonitrile, 4-amino-3-fluoro-
  • 4-Cyano-2-fluoroaniline
  • 4-Amino-3-fluorobenzenecarbonitrile
  • 2-Fluoro-4-cyanoaniline
  • 3-Fluoro-4-aminobenzonitrile

Work with 4-Amino-3-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

3,4-Diaminobenzonitrile17626-40-364 % similar 3,4-Difluorobenzonitrile64248-62-064 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 3-Fluoro-4-methoxybenzonitrile331-62-456 % similar 4-Amino-2,5-difluorobenzonitrile112279-61-553 % 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 4-Amino-2-fluorobenzonitrile53312-80-4 5-Amino-2-fluorobenzonitrile53312-81-5 4-Fluoro-1H-pyrrolo[2,3-B]pyridine640735-23-5 2-Amino-6-fluorobenzonitrile77326-36-4

Elsewhere

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