chempirical

2′-Fluoroacetophenone

C8H7FOCAS 445-27-2138.14 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C8H7FO
Molar mass
138.14 g/mol
Exact mass
138.0481 Da
logP
2.03Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
445-27-2
SMILES
CC(=O)c1ccccc1F
InChIKey
QMATYTFXDIWACW-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(2-fluorophenyl)-
  • Acetophenone, 2′-fluoro-
  • 1-(2-Fluorophenyl)ethanone
  • o-Fluoroacetophenone
  • 2-Fluorophenyl methyl ketone
  • NSC 88297
  • Methyl 2-fluorophenyl ketone
  • 1-(2-Fluorophenyl)ethan-1-one

Work with 2′-Fluoroacetophenone

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-Diacetylbenzene704-00-767 % similar 1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-365 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-061 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-858 % similar 1-(2,4-Difluorophenyl)ethanone364-83-058 % similar 1-(2,4,5-Trifluorophenyl)ethanone129322-83-455 % similar 2′-Bromoacetophenone2142-69-055 % similar 2′-Methylacetophenone577-16-255 % similar

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

Same formula

2-Fluoro-6-methylbenzaldehyde117752-04-2 (R)-(4-Fluorophenyl)oxirane134356-73-3 4-Fluoro-3-methylbenzaldehyde135427-08-6 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5 4′-Fluoroacetophenone403-42-9 2-Fluoro-1-phenylethanone450-95-3

Elsewhere

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