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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, P501

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

Dibenzoylmethane120-46-763 % similar 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

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 2-Fluoro-4-methylbenzaldehyde146137-80-6 3-Fluoro-2-methylbenzaldehyde147624-13-3 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5

Elsewhere

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