3,4,5-Trifluorobenzophenone

C₁₃H₇F₃OCAS 70028-88-5236.19 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₇F₃O
Molar mass: 236.19 g/mol
Exact mass: 236.0449 Da
logP: 3.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

70028-88-5

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)F)F)F

InChIKey

BTQOMZVQASIULU-UHFFFAOYSA-N

InChI

InChI=1S/C13H7F3O/c14-10-6-9(7-11(15)12(10)16)13(17)8-4-2-1-3-5-8/h1-7H

Weigh it out

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

Work with 3,4,5-Trifluorobenzophenone

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

(3,4-Difluorophenyl)phenylmethanone85118-07-668 % similar 1,3,5-Tribenzoylbenzene25871-69-663 % similar 3,5-Difluorobenzophenone179113-89-461 % similar 2-Fluorobenzophenone342-24-561 % similar 2,3-Difluorobenzophenone208173-20-059 % similar 2,3,4,5,6-Pentafluorobenzophenone1536-23-858 % similar Benzophenone119-61-958 % similar 3-Fluorobenzophenone345-69-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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