chempirical

2-Amino-6-fluorobenzotrifluoride

C7H5F4NCAS 123973-22-8179.12 g/mol

Open in Covalent MOL file
FFFFNH2
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5F4N
Molar mass
179.12 g/mol
Exact mass
179.0358 Da
logP
2.43Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
123973-22-8
SMILES
C1=CC(=C(C(=C1)F)C(F)(F)F)N
InChIKey
SJMDWKFHBPDEQT-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F4N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

1 names
  • 3-Fluoro-2-(trifluoromethyl)aniline

Work with 2-Amino-6-fluorobenzotrifluoride

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

1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-357 % similar 2-Fluoroaniline348-54-952 % similar 2,3-Difluoroaniline4519-40-852 % similar 2-Chloro-3-fluorobenzenamine21397-08-050 % similar 3-Fluoro-2-methylaniline443-86-750 % similar 2-Bromo-3-fluoroaniline111721-75-648 % similar 2-Amino-6-fluorophenol53981-25-248 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-047 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)aniline123973-25-1 2-Fluoro-6-(trifluoromethyl)aniline144851-61-6 4-Fluoro-3-(trifluoromethyl)aniline2357-47-3 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-5-trifluoromethylaniline454-67-1 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook