EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:44903 - 2,3,4,5,6-pentafluorobenzyl alcohol

ChEBI IDCHEBI:44903
ChEBI Name2,3,4,5,6-pentafluorobenzyl alcohol
Stars
DefinitionAn organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.
Last Modified27 August 2014
DownloadsMolfile
FormulaC7H3F5O
Net Charge0
Average Mass198.090
Monoisotopic Mass198.01041
SMILESOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKeyPGJYYCIOYBZTPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3,4,5,6-pentafluorobenzyl alcohol (CHEBI:44903) is a benzyl alcohols (CHEBI:22743)
2,3,4,5,6-pentafluorobenzyl alcohol (CHEBI:44903) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(pentafluorophenyl)methanol
Synonym  Source
pentafluorobenzyl alcoholNIST Chemistry WebBook
Manual XrefsDatabases
PFBPDBeChem
Registry NumbersSources
Reaxys:2052669Reaxys
CAS:440-60-8ChemIDplus
CAS:440-60-8NIST Chemistry WebBook
Citations