chempirical

3,5-Bis(trifluoromethyl)toluene

C9H6F6CAS 75462-61-2228.14 g/mol

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Alkyl halide

Properties

Molecular formula
C9H6F6
Molar mass
228.14 g/mol
Exact mass
228.0374 Da
logP
4.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
75462-61-2
SMILES
CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
WGUXTQDCAZNJIF-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2-4H,1H3

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Names and synonyms

1 names
  • 3,5-Ditrifluoromethylbenzyl

Work with 3,5-Bis(trifluoromethyl)toluene

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-Bromo-5-(trifluoromethyl)toluene86845-28-568 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-767 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-660 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-657 % similar 3,5-Di-tert-butyltoluene15181-11-052 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-750 % similar Tris[3,5-bis(trifluoromethyl)phenyl]phosphine175136-62-650 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-150 % similar

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

Elsewhere

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