chempirical

1-[4-(Trifluoromethoxy)phenyl]ethanone

C9H7F3O2CAS 85013-98-5204.15 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEtherKetone

Properties

Molecular formula
C9H7F3O2
Molar mass
204.15 g/mol
Exact mass
204.0398 Da
logP
2.79Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
85013-98-5
SMILES
CC(=O)c1ccc(OC(F)(F)F)cc1
InChIKey
MOEXTBIPPMLEFX-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Ethanone, 1-[4-(trifluoromethoxy)phenyl]-
  • 4′-(Trifluoromethoxy)acetophenone
  • 1-[4-(Trifluoromethoxy)phenyl]-1-ethanone
  • 1-(4-Trifluoromethoxyphenyl)ethanone

Work with 1-[4-(Trifluoromethoxy)phenyl]ethanone

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

1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-460 % similar 4-(Trifluoromethoxy)benzoic acid330-12-159 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-859 % similar 2-Methyl-1-[4-(trifluoromethoxy)phenyl]-1-propanone56425-84-458 % similar Acetanisole100-06-156 % similar 1,4-Diacetylbenzene1009-61-656 % similar 4-Acetylphenyl trifluoromethanesulfonate109613-00-555 % similar 4-(Trifluoromethyl)acetophenone709-63-755 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 Methyl 3-trifluoromethylbenzoate2557-13-3 4-Methyl-3-(trifluoromethyl)benzoic acid261952-01-6 [2-(Trifluoromethyl)phenyl]acetic acid3038-48-0 4-(Trifluoromethyl)benzeneacetic acid32857-62-8

Elsewhere

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