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

C₁₇H₆F₁₂OCAS 175136-66-0454.21 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₇H₆F₁₂O
Molar mass: 454.21 g/mol
Exact mass: 454.0227 Da
logP: 6.99Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

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

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 Bis (trifluoromethyl)acetophenone30071-93-361 % 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 3,4'-Bis(trifluoromethyl)benzophenone21084-22-056 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-255 % similar

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

Elsewhere

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