chempirical

2-Fluoro-1-phenylethanone

C8H7FOCAS 450-95-3138.14 g/mol

Open in Covalent MOL file
OF
Alkyl halideKetone

Properties

Molecular formula
C8H7FO
Molar mass
138.14 g/mol
Exact mass
138.0481 Da
Density
1.154 g/mL (at 20 °C)
Melting point
29 °C
Boiling point
80–85 °C (at 16 Torr)
logP
1.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
450-95-3
SMILES
O=C(CF)c1ccccc1
InChIKey
YOMBUJAFGMOIGS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 2-fluoro-1-phenyl-
  • Acetophenone, 2-fluoro-
  • 2-Fluoroacetophenone
  • α-Fluoroacetophenone
  • Phenacyl fluoride
  • ω-Fluoroacetophenone
  • Monofluoromethyl phenyl ketone
  • 2-Fluoro-1-phenylethan-1-one

Work with 2-Fluoro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diphenyl-1,4-butanedione495-71-663 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-058 % similar 2-Aminoacetophenone613-89-858 % similar 2-Phenylacetophenone451-40-156 % similar Phenacyl chloride532-27-456 % similar α-Hydroxyacetophenone582-24-156 % similar Phenacyl bromide70-11-156 % similar Propiophenone93-55-056 % 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′-Fluoroacetophenone445-27-2

Elsewhere

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