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

Warning
Irritant (GHS07)

Aggregated from 39 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
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

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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 2′,4′,5′-Trifluoroacetophenone129322-83-462 % 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 2,2,2,4′-Tetrafluoroacetophenone655-32-3

Elsewhere

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