chempirical

2-(Trifluoromethoxy)benzamide

C8H6F3NO2CAS 127979-74-2205.14 g/mol

Open in Covalent MOL file
ONH2OFFF
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

Identifiers

CAS number
127979-74-2
SMILES
C1=CC=C(C(=C1)C(=O)N)OC(F)(F)F
InChIKey
XXTXDVUAHROLBN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(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 2-(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

2-(Trifluoromethoxy)benzoic hydrazide175277-19-754 % similar 2-Trifluoromethoxyaniline1535-75-750 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-848 % similar Sodium orthocarbamylphenoxyacetate3785-32-847 % similar 2-(Trifluoromethoxy)benzenesulfonamide37526-59-346 % similar 2-(Trifluoromethoxy)benzenemethanamine175205-64-846 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-946 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-443 % similar

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

Same formula

3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3 3-Amino-5-(trifluoromethyl)benzoic acid328-68-7 4-Amino-3-(trifluoromethyl)benzoic acid400-76-0 2-Amino-4-(trifluoromethyl)benzoic acid402-13-1 2-Methyl-1-nitro-3-(trifluoromethyl)benzene6656-49-1

Elsewhere

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