3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone

C17H6F12OCAS 175136-66-0454.21 g/mol

Open in Covalent MOL file
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Alkyl halideKetone

Properties

Molecular formula
C17H6F12O
Molar mass
454.21 g/mol
Exact mass
454.0227 Da
logP
6.99Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
175136-66-0
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChIKey
GATWMPGNBWPCIY-UHFFFAOYSA-N
InChI
InChI=1S/C17H6F12O/c18-14(19,20)9-1-7(2-10(5-9)15(21,22)23)13(30)8-3-11(16(24,25)26)6-12(4-8)17(27,28)29/h1-6H

Weigh it out

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Work with 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone

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

[3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-278 % similar 3,3'-Bis(trifluoromethyl)benzophenone1868-00-464 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-361 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-361 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-861 % similar 3-(Trifluoromethyl)benzophenone728-81-458 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,4'-Bis(trifluoromethyl)benzophenone21084-22-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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