2,2,2-Trifluoro-1-phenylethanone

C8H5F3OCAS 434-45-7174.12 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideKetone

Properties

Molecular formula
C8H5F3O
Molar mass
174.12 g/mol
Exact mass
174.0292 Da
Density
1.279 g/mL (at 20 °C)
Melting point
−40 °C
Boiling point
153 °C
logP
2.43Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
434-45-7
SMILES
O=C(c1ccccc1)C(F)(F)F
InChIKey
KZJRKRQSDZGHEC-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

12 names
  • Ethanone, 2,2,2-trifluoro-1-phenyl-
  • Acetophenone, 2,2,2-trifluoro-
  • 2,2,2-Trifluoroacetophenone
  • Phenyl trifluoromethyl ketone
  • Trifluoromethyl phenyl ketone
  • α,α,α-Trifluoroacetophenone
  • ω,ω,ω-Trifluoroacetophenone
  • 2,2,2-Trifluoro-1-phenyl-1-ethanone
  • NSC 42752
  • (Trifluoroacetyl)benzene
  • 1-Phenyl-2,2,2-trifluoro-ethanone
  • 1-Phenyl-α,α,α-trifluoroethanone

Work with 2,2,2-Trifluoro-1-phenylethanone

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

2,2,2,4′-Tetrafluoroacetophenone655-32-363 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-562 % similar 4'-Bromo-2,2,2-trifluoroacetophenone16184-89-761 % similar 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-261 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-961 % similar 2-Chloro-2,2-difluoroacetophenone384-67-861 % similar 2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one394-52-561 % similar 4-(Trifluoroacetyl)toluene394-59-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2′,4′,5′-Trifluoroacetophenone129322-83-4 1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 3',4',5'-Trifluoroacetophenone220141-73-1 1-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-9 2-(Trifluoromethyl)benzaldehyde447-61-0 3-(Trifluoromethyl)benzaldehyde454-89-7 4-(Trifluoromethyl)benzaldehyde455-19-6 2',4',6'-Trifluoroacetophenone51788-77-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook