2,3,6-Trifluorobenzamide

C7H4F3NOCAS 207986-22-9175.11 g/mol

Open in Covalent MOL file
FONH2FF
AmideAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

2,3,6-Trifluorobenzoyl chloride189807-20-357 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-257 % similar 2,3,6-Trifluorobenzoic acid2358-29-457 % similar 2-Amino-6-fluorobenzamide115643-59-956 % similar 2-Fluoro-6-(trifluoromethyl)benzamide144851-59-251 % similar 3-Chloro-4-fluorobenzamide701-43-947 % similar 1,2,3,4-Tetrafluorobenzene551-62-246 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-146 % 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 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-5 2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-8 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-7 3,4,5-Trifluorobenzamide78324-75-1 2,4,6-Trifluorobenzamide82019-50-9 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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