2,3,6-Trifluorobenzamide

C₇H₄F₃NOCAS 207986-22-9175.11 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₇H₄F₃NO
Molar mass: 175.11 g/mol
Exact mass: 175.0245 Da
logP: 1.20Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

207986-22-9

SMILES

C1=CC(=C(C(=C1F)C(=O)N)F)F

InChIKey

BWWGEHSEZGXEKB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3NO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)

Weigh it out

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

Work with 2,3,6-Trifluorobenzamide

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-(2,3,6-Trifluorophenyl)ethanone208173-22-257 % similar 2,3,6-Trifluorobenzoic acid2358-29-457 % similar 1,2,3,4-Tetrafluorobenzene551-62-246 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-146 % similar 4-Fluorobenzamide824-75-943 % similar Terephthalamide3010-82-042 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-042 % similar 2,3,4-Trifluorobenzoic acid61079-72-941 % similar

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

Same formula

3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-1 2,3,4-Trifluorobenzamide207919-09-3 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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