chempirical

3,4,5-Trifluorobenzophenone

C13H7F3OCAS 70028-88-5236.19 g/mol

Open in Covalent MOL file
OFFF
Aryl halideKetone

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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-Difluorophenyl)phenylmethanone208173-20-059 % 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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