chempirical

(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol

C16H11F3OCAS 53531-34-3276.26 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

Properties

Molecular formula
C16H11F3O
Molar mass
276.26 g/mol
Exact mass
276.0762 Da
logP
4.59Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
53531-34-3
SMILES
O[C@H](c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIKey
ICZHJFWIOPYQCA-OAHLLOKOSA-N
InChI
InChI=1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • 9-Anthracenemethanol, α-(trifluoromethyl)-, (αR)-
  • 9-Anthracenemethanol, α-(trifluoromethyl)-, (R)-
  • (αR)-α-(Trifluoromethyl)-9-anthracenemethanol
  • (R)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethanol
  • (R)-2,2,2-Trifluoro-1-(9-anthracenyl)ethanol
  • (-)-1-(9-Anthryl)-2,2,2-trifluoroethanol
  • (R)-1-(9-Anthryl)-2,2,2-trifluoro-1-ethanol
  • (R)-(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
  • (R)-1-(Anthracen-9-yl)-2,2,2-trifluoroethanol
  • (R)-1-(Anthracen-10-yl)-2,2,2-trifluoroethanol
  • (R)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
  • (R)-1-(9-Anthryl)-2,2,2-trifluoroethanol
  • (1R)-1-(9-Anthryl)-2,2,2-trifluoroethanol

Work with (-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol60646-30-2Enantiomer

Similar compounds

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-750 % similar 2,2,2-Trifluoro-1-phenylethanol340-04-550 % similar 2,2,2-Trifluoro-1-phenylethanol340-05-650 % similar (+)-2,2,2-Trifluoro-1-phenylethanol340-06-750 % similar 9,9′-Bianthryl1055-23-840 % similar 9-Anthraceneboronic acid100622-34-237 % similar 9-Anthracenemethanol1468-95-737 % similar 9-Bromoanthracene1564-64-336 % similar

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

Elsewhere

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