FCR

ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL

Created:2000-04-12
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of FCR

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Chemical Component Summary

NameALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
Systematic Name (OpenEye OEToolkits)4-(trifluoromethyl)phenol
FormulaC7 H5 F3 O
Molecular Weight162.109
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c1ccc(O)cc1
SMILESCACTVS3.341Oc1ccc(cc1)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(F)(F)F)O
Canonical SMILESCACTVS3.341 Oc1ccc(cc1)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C(F)(F)F)O
InChIInChI1.03 InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKeyInChI1.03 BAYGVMXZJBFEMB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03610 
Name4-(trifluoromethyl)phenol
Groups experimental
Synonyms
  • 4-(trifluoromethyl)phenol
  • 4-trifluoromethylphenol
  • 4-hydroxybenzotrifluoride
  • α,α,α-trifluoro-p-cresol
CategoriesBenzene Derivatives
CAS number402-45-9

Related Resource References

Resource NameReference
PubChem 67874
ChEMBL CHEMBL539165
ChEBI CHEBI:42578