3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide

C8H4ClF4NOCAS 186517-42-0241.57 g/mol

Open in Covalent MOL file
NH2OFFFClF
Alkyl halideAryl halide

Properties

Molecular formula
C8H4ClF4NO
Molar mass
241.57 g/mol
Exact mass
240.9918 Da
logP
3.38Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
186517-42-0
SMILES
N=C(O)c1c(C(F)(F)F)ccc(Cl)c1F
InChIKey
OQHHVMDGJULHEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF4NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)

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Names and synonyms

2 names
  • Benzamide, 3-chloro-2-fluoro-6-(trifluoromethyl)-
  • 3-Chloro-2-fluoro-6-trifluoromethylbenzamide

Work with 3-Chloro-2-fluoro-6-(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

3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid186517-41-965 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-347 % similar 2-Chloro-6-fluorobenzamide66073-54-946 % similar 2,6-Dichlorobenzamide2008-58-446 % similar 2,6-Dichloro-4-(trifluoromethyl)-3-pyridinecarboxamide158063-67-346 % similar 2-(Trifluoromethyl)benzamide360-64-544 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-043 % similar 2-Chloro-6-(trifluoromethyl)be2376-00-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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