2-(Trifluoromethoxy)benzamide

C₈H₆F₃NO₂CAS 127979-74-2205.14 g/mol

Open in Covalent MOL file

Alkyl halide Amide Ether

Properties

Molecular formula: C₈H₆F₃NO₂
Molar mass: 205.14 g/mol
Exact mass: 205.0351 Da
logP: 1.68Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 acid150436-84-363 % similar 2-(Trifluoromethoxy)benzoyl chloride162046-61-963 % similar 2-(Trifluoromethoxy)benzoic acid1979-29-963 % similar 2'-(Trifluoromethoxy)acetophenone220227-93-063 % similar Methyl 2-(trifluoromethoxy)benzoate148437-99-459 % similar 4-(Trifluoromethoxy)benzamide456-71-354 % similar 2-(Acetyloxy)benzamide5663-71-854 % similar 2-(Trifluoromethoxy)benzoic hydrazide175277-19-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-4-(trifluoromethyl)benzoic acid125483-00-3 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 2-Amino-6-(trifluoromethyl)benzoic acid314-46-5

Elsewhere

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