chempirical

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

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

Weigh it out

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

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

3,4-Dichlorobenzotrifluoride328-84-758 % similar 2,4-Dichlorobenzyl alcohol1777-82-855 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-653 % similar 3-(Trifluoromethyl)benzenemethanol349-75-751 % similar 2-Chloro-4-trifluoromethylaniline39885-50-251 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-251 % similar 2-Chlorobenzyl alcohol17849-38-650 % similar 4-(Trifluoromethyl)benzenemethanol349-95-148 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook