2-Fluoro-5-(trifluoromethyl)benzamide

C₈H₅F₄NOCAS 207919-05-9207.13 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide

Properties

Molecular formula: C₈H₅F₄NO
Molar mass: 207.13 g/mol
Exact mass: 207.0307 Da
logP: 1.94Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

207919-05-9

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(=O)N)F

InChIKey

DDLPGTOHZZKQLP-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F4NO/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)

Weigh it out

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

Work with 2-Fluoro-5-(trifluoromethyl)benzamide

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-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-266 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-764 % similar 2'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-764 % similar 2-Fluoro-5-(trifluoromethyl)benzophenone199292-40-559 % similar 2-Fluoro-5-(trifluoromethyl)propiophenone207974-18-359 % similar 4-(Trifluoromethyl)benzamide1891-90-355 % similar 3-(Aminocarbonyl)-4-fluorobenzeneboronic acid874219-34-854 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-(trifluoromethyl)benzamide144851-59-2 2-Fluoro-3-(trifluoromethyl)benzamide207853-60-9 2-Fluoro-4-(trifluoromethyl)benzamide207853-64-3 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-0 3-Fluoro-5-(trifluoromethyl)benzamide207986-20-7 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-5

Elsewhere

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