chempirical

3-(Trifluoromethoxy)benzamide

C8H6F3NO2CAS 658-91-3205.14 g/mol

Open in Covalent MOL file
OFFFONH2
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
658-91-3
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)C(=O)N
InChIKey
RRANUIMYSXUNCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)

Weigh it out

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

Work with 3-(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)benzoic acid1014-81-965 % similar 3'-(Trifluoromethoxy)acetophenone170141-63-665 % similar 3-(Trifluoromethoxy)benzoyl chloride86270-03-365 % similar 4-(Trifluoromethoxy)benzamide456-71-365 % similar Methyl 3-(trifluoromethoxy)benzoate148438-00-063 % similar 3-(Trifluoromethoxy)aniline1535-73-553 % similar Gnf-2778270-11-452 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-651 % 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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