3,5-Bis(trifluoromethyl)benzamide

C9H5F6NOCAS 22227-26-5257.14 g/mol

Open in Covalent MOL file
NH2OFFFFFF
Alkyl halide

Properties

Molecular formula
C9H5F6NO
Molar mass
257.14 g/mol
Exact mass
257.0275 Da
logP
3.61Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
22227-26-5
SMILES
N=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
YNOPIKHMZIOWHS-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)

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

Names and synonyms

2 names
  • Benzamide, 3,5-bis(trifluoromethyl)-
  • 3,5-Ditrifluoromethylbenzamide

Work with 3,5-Bis(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

m-(Trifluoromethyl)benzamide1801-10-168 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-355 % similar 3,5-Bis(trifluoromethyl)benzamidine hydrochloride97603-94-652 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-050 % similar 3,5-Bis(trifluoromethyl)benzohydrazide26107-82-450 % similar 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-550 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-750 % similar 6-(Trifluoromethyl)nicotinamide386715-35-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Bis(trifluoromethyl)benzamide53130-45-3

Elsewhere

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