chempirical

(4-Fluorophenyl)-2-thienylmethanone

C11H7FOSCAS 579-49-7206.23 g/mol

Open in Covalent MOL file
OFS
Aryl halideKetone

Properties

Molecular formula
C11H7FOS
Molar mass
206.23 g/mol
Exact mass
206.0202 Da
Melting point
95.5–96 °C
Boiling point
142–145 °C (at 4 Torr)
logP
3.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
579-49-7
SMILES
O=C(c1ccc(F)cc1)c1cccs1
InChIKey
NLTRJPXIYKYMKT-UHFFFAOYSA-N
InChI
InChI=1S/C11H7FOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H

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

Names and synonyms

7 names
  • Methanone, (4-fluorophenyl)-2-thienyl-
  • Ketone, p-fluorophenyl 2-thienyl
  • 4-Fluorophenyl 2-thienyl ketone
  • 2-(p-Fluorobenzoyl)thiophene
  • 2-(4-Fluorobenzoyl)thiophene
  • 4-Fluorophenyl thiophene-2-yl ketone
  • (4-Fluorophenyl)(thiophen-2-yl) methanone

Work with (4-Fluorophenyl)-2-thienylmethanone

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

2-Benzoylthiophene135-00-268 % similar 2-Thienyl ketone704-38-162 % similar 4,4′-Difluorobenzophenone345-92-659 % similar 4-Fluorobenzophenone345-83-556 % similar Suprofen40828-46-451 % similar 2,4′-Difluorobenzophenone342-25-649 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-749 % similar 4-Fluoro-4'-methylbenzophenone530-46-149 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook