4-(Trifluoromethoxy)benzamide

C₈H₆F₃NO₂CAS 456-71-3205.14 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

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)

Weigh it out

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

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)propan-1-one56425-84-456 % 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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