3,3'-Bis(trifluoromethyl)diphenylmethane

C15H10F6CAS 86845-35-4304.24 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C15H10F6
Molar mass
304.24 g/mol
Exact mass
304.0687 Da
logP
5.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
86845-35-4
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CC2=CC(=CC=C2)C(F)(F)F
InChIKey
GXGZHSTYPHZGGN-UHFFFAOYSA-N
InChI
InChI=1S/C15H10F6/c16-14(17,18)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(19,20)21/h1-6,8-9H,7H2

Weigh it out

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Work with 3,3'-Bis(trifluoromethyl)diphenylmethane

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-(Trifluoromethyl)benzyl mercaptan25697-55-668 % similar 3-(Trifluoromethyl)benzylamine2740-83-268 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-768 % similar 3-(Trifluoromethyl)benzyl bromide402-23-368 % similar 3-(Trifluoromethyl)benzyl chloride705-29-368 % similar 3,5-Bis(trifluoromethyl)benzene402-31-365 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-265 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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