chempirical

3-(Trifluoromethyl)benzenepropanol

C10H11F3OCAS 78573-45-2204.19 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

Properties

Molecular formula
C10H11F3O
Molar mass
204.19 g/mol
Exact mass
204.0762 Da
logP
2.63Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
78573-45-2
SMILES
OCCCc1cccc(C(F)(F)F)c1
InChIKey
QWXKQVIMGVVIBX-UHFFFAOYSA-N
InChI
InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenepropanol, 3-(trifluoromethyl)-
  • 3-[3-(Trifluoromethyl)phenyl]propan-1-ol
  • 3-(3′-Trifluoromethylphenyl)propan-1-ol
  • 3-[3-(Trifluoromethyl)phenyl]propanol

Work with 3-(Trifluoromethyl)benzenepropanol

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-(Trifluoromethyl)benzenemethanol349-75-764 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-060 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-855 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-255 % similar 3-(Trifluoromethyl)benzylamine2740-83-254 % similar 3-(Trifluoromethyl)benzyl bromide402-23-354 % similar 3-(Trifluoromethyl)benzyl chloride705-29-354 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-354 % similar

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

Elsewhere

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