1-(4-(Trifluoromethyl)phenyl)ethan-1-one
Properties
- Molecular formula
- C9H7F3O
- Molar mass
- 188.15 g/mol
- Exact mass
- 188.0449 Da
- Melting point
- 31 °C
- Boiling point
- 79.5 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation93.9% of notifiers
Aggregated from 49 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
709-63-7SMILES
CC(=O)c1ccc(C(F)(F)F)cc1InChIKey
HHAISVSEJFEWBZ-UHFFFAOYSA-NInChI
InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 4-(Trifluoromethyl)acetophenone
- Ethanone, 1-[4-(trifluoromethyl)phenyl]-
- Acetophenone, 4′-(trifluoromethyl)-
- 1-[4-(Trifluoromethyl)phenyl]ethanone
- p-(Trifluoromethyl)acetophenone
- 4′-(Trifluoromethyl)acetophenone
- (4-Trifluoromethylphenyl) methyl ketone
- 1-[4-(Trifluoromethyl)phenyl]-1-ethanone
- NSC 88346
- 1-Acetyl-4-(trifluoromethyl)benzene
- Methyl 4-trifluoromethylphenyl ketone
- 4-Acetylbenzotrifluoride
Work with 1-(4-(Trifluoromethyl)phenyl)ethan-1-one
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
1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-366 % similar
1,4-Diacetylbenzene1009-61-663 % similar
4′-tert-Butylacetophenone943-27-162 % similar
4-(Trifluoromethyl)benzamide1891-90-359 % similar
1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-058 % similar
4-(Trifluoromethyl)benzoyl fluoride368-94-557 % similar
1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-856 % similar
4,4'-Diacetylbiphenyl787-69-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds