2'-Fluoro-4'-(trifluoromethyl)propiophenone

C10H8F4OCAS 208173-16-4220.17 g/mol

Open in Covalent MOL file
OFFFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C10H8F4O
Molar mass
220.17 g/mol
Exact mass
220.0511 Da
logP
3.44Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
208173-16-4
SMILES
CCC(=O)C1=C(C=C(C=C1)C(F)(F)F)F
InChIKey
PDWYVBFOPQMCLP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8F4O/c1-2-9(15)7-4-3-6(5-8(7)11)10(12,13)14/h3-5H,2H2,1H3

Weigh it out

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

Work with 2'-Fluoro-4'-(trifluoromethyl)propiophenone

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-(2,4-Difluorophenyl)-1-propanone85068-30-063 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-462 % similar 2-Fluoro-4-(trifluoromethyl)benzamide207853-64-359 % similar p-Trifluoromethylpropiophenone711-33-158 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-857 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-057 % similar 3'-(Trifluoromethyl)propiophenone1533-03-556 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-(trifluoromethyl)propiophenone207974-18-3 3'-Fluoro-5'-(trifluoromethyl)propiophenone207974-20-7 2'-Fluoro-3'-(trifluoromethyl)propiophenone207986-23-0

Elsewhere

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