2,2,2-Trifluoro-N-phenylacetamide

C₈H₆F₃NOCAS 404-24-0189.14 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₈H₆F₃NO
Molar mass: 189.14 g/mol
Exact mass: 189.0401 Da
Melting point: 87.64 °C (sublimes)
Boiling point: 220–225 °C
logP: 2.84Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

404-24-0

SMILES

OC(=Nc1ccccc1)C(F)(F)F

InChIKey

SAPQIENQEZURNZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

7 names

Acetamide, 2,2,2-trifluoro-N-phenyl-
Acetanilide, 2,2,2-trifluoro-
α,α,α-Trifluoroacetanilide
2,2,2-Trifluoroacetanilide
N-Phenyltrifluoroacetamide
N-Phenyl-2,2,2-trifluoroacetamide
NSC 9474

Reactions

Trifluoroacetylation of amines and amino acids under neutral, mild conditions: N-trifluoroacetanilide and N-trifluoroacetyl-L-tyrosine (Acetamide, 2,2,2-trifluoro-N-phenyl- and L-Tyrosine, N-(trifluoroacetyl)-)product

Work with 2,2,2-Trifluoro-N-phenylacetamide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,2-Trifluoro-N-phenylacetimidoyl chloride61881-19-457 % similar Acetanilide103-84-443 % similar Benzanilide93-98-143 % similar Phenylcarbylamine chloride622-44-641 % similar N-Methyltrifluoroacetamide815-06-541 % similar Fenuron101-42-839 % similar 1,3-Diphenylurea102-07-839 % similar 4-Phenylsemicarbazide537-47-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

m-(Trifluoromethyl)benzamide1801-10-1 4-(Trifluoromethyl)benzamide1891-90-3 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-2 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-0 2-(Trifluoromethyl)benzamide360-64-5 3-(Trifluoromethyl)benzaldoxime368-83-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook