chempirical

2,4-Bis(trifluoromethyl)benzyl chloride

C9H5ClF6CAS 195136-46-0262.58 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
4.46Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
195136-46-0
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CCl
InChIKey
DPKQSESRNWBUFZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2

Weigh it out

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Names and synonyms

1 names
  • 1-(Chloromethyl)-2,4-bis(trifluoromethyl)benzene

Work with 2,4-Bis(trifluoromethyl)benzyl chloride

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

2,4-Bis(trifluoromethyl)benzyl bromide140690-56-863 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-063 % similar 2-Trifluoromethylbenzyl chloride21742-00-758 % similar 2-Nitro-4-(trifluoromethyl)benzyl chloride225656-59-754 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-453 % similar 2,4-Bis(trifluoromethyl)phenylacetic acid177952-39-553 % similar 3-(Trifluoromethyl)benzyl chloride705-29-350 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-349 % similar

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

Same formula

(1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene16878-50-5 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-8

Elsewhere

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