2-Chloro-4-(trifluoromethyl)benzenemethanol

C8H6ClF3OCAS 56456-51-0210.58 g/mol

Open in Covalent MOL file
HOFFFCl
AlcoholAlkyl halideAryl halide

Properties

Molecular formula
C8H6ClF3O
Molar mass
210.58 g/mol
Exact mass
210.0059 Da
logP
2.85Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
56456-51-0
SMILES
OCc1ccc(C(F)(F)F)cc1Cl
InChIKey
GMZPPTCATYZORA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2

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Names and synonyms

3 names
  • Benzenemethanol, 2-chloro-4-(trifluoromethyl)-
  • 2-Chloro-4-(trifluoromethyl)benzyl alcohol
  • (2-Chloro-4-(trifluoromethyl)phenyl)methanol

Work with 2-Chloro-4-(trifluoromethyl)benzenemethanol

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 alcohol143158-15-064 % similar 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-962 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-359 % similar 3,4-Dichlorobenzotrifluoride328-84-758 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-257 % similar 2-Chloro-4-fluorobenzyl alcohol208186-84-956 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-556 % similar 2-Iodo-5-(trifluoromethyl)benzyl alcohol702641-05-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)benzyl alcohol261763-20-6 [5-Chloro-2-(trifluoromethyl)phenyl]methanol261763-21-7 4-Chloro-3-(trifluoromethyl)anisole400-73-7 2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-9 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-9 4-(Trifluoromethoxy)benzyl chloride65796-00-1

Elsewhere

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