chempirical

4-(Trifluoromethoxy)benzamide

C8H6F3NO2CAS 456-71-3205.14 g/mol

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OH2NOFFF
Alkyl halideAmideEther

Properties

Molecular formula
C8H6F3NO2
Molar mass
205.14 g/mol
Exact mass
205.0351 Da
logP
1.68Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
456-71-3
SMILES
C1=CC(=CC=C1C(=O)N)OC(F)(F)F
InChIKey
IDIXWLCRJFBQJA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

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Names and synonyms

1 names
  • Benzamide, 4-(trifluoromethoxy)-

Work with 4-(Trifluoromethoxy)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-(Trifluoromethoxy)benzamide658-91-365 % similar 4-(Trifluoromethoxy)benzoic acid330-12-161 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-861 % similar 1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-561 % similar 4-(Trifluoromethoxy)benzoic acid hydrazide175277-18-660 % similar Methyl 4-(trifluoromethoxy)benzoate780-31-457 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-356 % similar 2-Methyl-1-[4-(trifluoromethoxy)phenyl]-1-propanone56425-84-456 % similar

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

Same formula

3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3 2-(Trifluoromethoxy)benzamide127979-74-2 4-(Trifluoromethoxy)benzaldoxime150162-39-3 Methyl 4-(trifluoromethyl)nicotinate175204-82-7 2-Methyl-4-nitrobenzotrifluoride1960-52-7 Methyl 6-(trifluoromethyl)nicotinate221313-10-6 2-Methyl-6-(trifluoromethyl)nicotinic acid261635-93-2 2-Amino-3-(trifluoromethyl)benzoic acid313-12-2

Elsewhere

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