3',5'-Bis(trifluoromethyl)acetanilide

C₁₀H₇F₆NOCAS 16143-84-3271.16 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₁₀H₇F₆NO
Molar mass: 271.16 g/mol
Exact mass: 271.0432 Da
logP: 3.68Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

16143-84-3

SMILES

CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChIKey

XMKZELXFBZUGEY-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)

Weigh it out

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

Names and synonyms

1 names

3,5-Bis(trifluoromethyl)acetanilide

Work with 3',5'-Bis(trifluoromethyl)acetanilide

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

N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide247170-19-053 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-551 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-350 % similar 4'-tert-Butylacetanilide20330-45-447 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-147 % similar 4-Nitro-3-trifluoromethylacetanilide393-12-447 % similar 3,5-Bis(trifluoromethyl)-N-ethylaniline49850-16-046 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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