chempirical

2-Trifluoromethoxyphenol

C7H5F3O2CAS 32858-93-8178.11 g/mol

Open in Covalent MOL file
OHOFFF
Alkyl halideEtherPhenol

Properties

Molecular formula
C7H5F3O2
Molar mass
178.11 g/mol
Exact mass
178.0242 Da
logP
2.29Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
32858-93-8
SMILES
C1=CC=C(C(=C1)O)OC(F)(F)F
InChIKey
GQWMNVOVQZIPJC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H

Weigh it out

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

Names and synonyms

1 names
  • 2-(Trifluoromethoxy)phenol

Work with 2-Trifluoromethoxyphenol

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

1-Fluoro-2-(trifluoromethoxy)benzene2106-18-557 % similar 2-Trifluoromethoxyaniline1535-75-753 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-953 % similar 2-(Trifluoromethoxy)thiophenol175278-01-053 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-453 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-653 % similar 2-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)175676-65-053 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-450 % similar

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

Same formula

4-(Trifluoromethoxy)phenol828-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook