chempirical

3,5-Difluorobenzophenone

C13H8F2OCAS 179113-89-4218.20 g/mol

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Aryl halideKetone

Properties

Molecular formula
C13H8F2O
Molar mass
218.20 g/mol
Exact mass
218.0543 Da
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
179113-89-4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)F)F
InChIKey
PNRLNUIMFIMZLI-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Work with 3,5-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

3-Fluorobenzophenone345-69-778 % similar 4-Fluorobenzophenone345-83-570 % similar 1,3,5-Tribenzoylbenzene25871-69-668 % similar Benzophenone119-61-963 % similar 3,4,5-Trifluorobenzophenone70028-88-561 % similar 1,4-Dibenzoylbenzene3016-97-560 % similar 1,3-Dibenzoylbenzene3770-82-959 % similar (3,4-Difluorophenyl)phenylmethanone85118-07-656 % similar

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

Same formula

(2,3-Difluorophenyl)phenylmethanone208173-20-0 2,4′-Difluorobenzophenone342-25-6 3,3′-Difluorobenzophenone345-70-0 4,4′-Difluorobenzophenone345-92-6 (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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