chempirical

2',3',4',5'-Tetrafluoroacetophenone

C8H4F4OCAS 66286-21-3192.11 g/mol

Open in Covalent MOL file
OFFFF
Aryl halideKetone

Properties

Molecular formula
C8H4F4O
Molar mass
192.11 g/mol
Exact mass
192.0198 Da
logP
2.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
66286-21-3
SMILES
CC(=O)C1=CC(=C(C(=C1F)F)F)F
InChIKey
JYKCLBMVRLLJCI-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c1-3(13)4-2-5(9)7(11)8(12)6(4)10/h2H,1H3

Weigh it out

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

Work with 2',3',4',5'-Tetrafluoroacetophenone

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-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-967 % similar 1-(2,4,5-Trifluorophenyl)ethanone129322-83-462 % similar 3',4',5'-Trifluoroacetophenone220141-73-160 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-656 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-456 % similar Methyl 2,3,4,5-tetrafluorobenzoate5292-42-256 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-455 % similar 2',3'-Difluoroacetophenone18355-80-155 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook