4,4′-Difluorobenzophenone

C₁₃H₈F₂OCAS 345-92-6218.20 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₈F₂O
Molar mass: 218.20 g/mol
Exact mass: 218.0543 Da
Melting point: 109 °C
logP: 3.20Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed73.4% of notifiers
H315 Causes skin irritation78.5% of notifiers
H319 Causes serious eye irritation78.5% of notifiers
H335 May cause respiratory irritation77.2% of notifiers
H411 Toxic to aquatic life with long lasting effects73.4% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

345-92-6

SMILES

O=C(c1ccc(F)cc1)c1ccc(F)cc1

InChIKey

LSQARZALBDFYQZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

Weigh it out

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

Names and synonyms

11 names

4,4'-Difluorobenzophenone
Methanone, bis(4-fluorophenyl)-
Benzophenone, 4,4′-difluoro-
Bis(4-fluorophenyl)methanone
p,p′-Difluorobenzophenone
Bis(4-fluorophenyl) ketone
Di-p-fluorophenyl ketone
Bis(p-fluorophenyl) ketone
NSC 51800
4,4′-Difluorodiphenyl ketone
4,4′-Difluorodiphenylmethanone

Work with 4,4′-Difluorobenzophenone

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-Fluorobenzophenone345-83-582 % similar 4-Fluoro-4'-hydroxybenzophenone25913-05-775 % similar 4-Fluoro-4'-methylbenzophenone530-46-175 % similar 4-Fluoro-4'-methoxybenzophenone345-89-167 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-564 % similar 4-Fluoro-4'-nitrobenzophenone2195-47-362 % similar (4-Fluorophenyl)-2-thienylmethanone579-49-759 % similar 4-Fluorobenzamide824-75-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluorobenzophenone179113-89-4 2,3-Difluorobenzophenone208173-20-0 2,4′-Difluorobenzophenone342-25-6 3,3′-Difluorobenzophenone345-70-0 (2-Fluorophenyl)(3-fluorophenyl)methanone58139-11-0 (2,6-Difluorophenyl)phenylmethanone59189-51-4 (2,4-Difluorophenyl)phenylmethanone85068-35-5 (2,5-Difluorophenyl)phenylmethanone85068-36-6

Elsewhere

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