4-Amino-2,3,5,6-tetrafluorobenzamide

C₇H₄F₄N₂OCAS 1548-74-9208.12 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₄F₄N₂O
Molar mass: 208.12 g/mol
Exact mass: 208.0260 Da
Melting point: 171–171.5 °C
logP: 1.71Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

1548-74-9

SMILES

N=C(O)c1c(F)c(F)c(N)c(F)c1F

InChIKey

CAERPAFTLPIDJT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4N2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H2,13,14)

Weigh it out

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

Names and synonyms

2 names

Benzamide, 4-amino-2,3,5,6-tetrafluoro-
NSC 97005

Work with 4-Amino-2,3,5,6-tetrafluorobenzamide

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

2,3,4,5,6-Pentafluorobenzamide652-31-371 % similar 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-453 % similar 2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-748 % similar 2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-047 % similar Pentafluoroaniline771-60-846 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-644 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-042 % similar 2,6-Difluorobenzamide18063-03-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook