chempirical

2-Amino-2-(4-fluorophenyl)acetonitrile

C8H7FN2CAS 56464-70-1150.16 g/mol

Open in Covalent MOL file
NH2NF
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C8H7FN2
Molar mass
150.16 g/mol
Exact mass
150.0593 Da
logP
1.35Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
56464-70-1
SMILES
C1=CC(=CC=C1C(C#N)N)F
InChIKey
HAEXHZOJAUQXNI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2

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Names and synonyms

1 names
  • 2-Amino-2-(4'-fluorophenyl)acetonitrile

Work with 2-Amino-2-(4-fluorophenyl)acetonitrile

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

α-Aminophenylacetonitrile hydrochloride53641-60-457 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-845 % similar 1-(4-Fluorophenyl)ethylamine403-40-745 % similar (S)-1-(4-Fluorophenyl)-ethylamine66399-30-245 % similar 4-Fluorobenzonitrile1194-02-140 % similar 4,4′-Difluorobenzhydryl chloride27064-94-440 % similar Bis(4-fluorophenyl)methanol365-24-240 % similar 1-(Dichloromethyl)-4-fluorobenzene456-19-940 % similar

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

Elsewhere

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