chempirical

4'-Hydroxy-3'-(trifluoromethyl)acetophenone

C9H7F3O2CAS 149105-11-3204.15 g/mol

Open in Covalent MOL file
OOHFFF
Alkyl halideKetonePhenol

Properties

Molecular formula
C9H7F3O2
Molar mass
204.15 g/mol
Exact mass
204.0398 Da
logP
2.61Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
149105-11-3
SMILES
CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F
InChIKey
HKRUXZJKSFFSGF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-5(13)6-2-3-8(14)7(4-6)9(10,11)12/h2-4,14H,1H3

Weigh it out

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

Work with 4'-Hydroxy-3'-(trifluoromethyl)acetophenone

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

4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-263 % similar 3′,4′-Dihydroxyacetophenone1197-09-762 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-861 % similar 4′-Hydroxy-3′-methylacetophenone876-02-857 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-755 % similar 5-Acetylsalicylic acid13110-96-854 % similar 4-(Trifluoromethyl)acetophenone709-63-753 % similar Apocynin498-02-253 % 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 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-5 3'-(Trifluoromethoxy)acetophenone170141-63-6 2'-(Trifluoromethoxy)acetophenone220227-93-0 Methyl 3-trifluoromethylbenzoate2557-13-3

Elsewhere

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