4-Fluorobenzophenone

C13H9FOCAS 345-83-5200.21 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C13H9FO
Molar mass
200.21 g/mol
Exact mass
200.0637 Da
Melting point
48 °C
logP
3.06Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
345-83-5
SMILES
O=C(c1ccccc1)c1ccc(F)cc1
InChIKey
OGTSHGYHILFRHD-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

9 names
  • Methanone, (4-fluorophenyl)phenyl-
  • Benzophenone, 4-fluoro-
  • (4-Fluorophenyl)phenylmethanone
  • p-Fluorobenzophenone
  • Phenyl 4-fluorophenyl ketone
  • p-Fluorophenyl phenyl ketone
  • NSC 88321
  • 4-Fluorophenyl phenyl ketone
  • 1-(4′-Fluorophenyl)-phenylmethanone

Work with 4-Fluorobenzophenone

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

4,4′-Difluorobenzophenone345-92-682 % similar 1,4-Dibenzoylbenzene3016-97-573 % similar 3,5-Difluorobenzophenone179113-89-470 % similar Benzophenone119-61-968 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-764 % similar 4-Fluoro-4'-methylbenzophenone530-46-164 % similar 2,4′-Difluorobenzophenone342-25-663 % similar 4-Phenylbenzophenone2128-93-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Fluorophenyl)benzaldehyde164334-74-1 2-(4-Fluorophenyl)benzaldehyde192863-46-0 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-9 2-Fluorobenzophenone342-24-5 3-Fluorobenzophenone345-69-7 3-(3-Fluorophenyl)benzaldehyde400750-09-6 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-2 2'-Fluorobiphenyl-4-carbaldehyde57592-42-4

Elsewhere

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