chempirical

(1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene

C9H5ClF6CAS 16878-50-5262.58 g/mol

Open in Covalent MOL file
FFFFFFCl
Alkyl halide

Properties

Molecular formula
C9H5ClF6
Molar mass
262.58 g/mol
Exact mass
261.9984 Da
logP
4.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
16878-50-5
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)Cl
InChIKey
DGTQQDMGYPZUIN-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClF6/c10-7(8(11,12)13,9(14,15)16)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

1 names
  • (2-Chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene

Work with (1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene

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

α,α-Bis(trifluoromethyl)benzenemethanol718-64-948 % similar Diphenyldichloromethane2051-90-346 % similar Triphenylmethyl chloride76-83-546 % similar Benzotrichloride98-07-746 % similar Trifluorotoluene98-08-846 % similar (1-Chloro-1-methylethyl)benzene934-53-241 % similar Tetraphenylmethane630-76-239 % similar α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-138 % similar

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

Same formula

2,4-Bis(trifluoromethyl)benzyl chloride195136-46-0 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-8

Elsewhere

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