EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:5115 - monofluorobenzene

ChEBI IDCHEBI:5115
ChEBI Namemonofluorobenzene
Stars
DefinitionThe simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.
Last Modified7 August 2024
DownloadsMolfile
FormulaC6H5F
Net Charge0
Average Mass96.104
Monoisotopic Mass96.03753
SMILESFc1ccccc1
InChIInChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyPYLWMHQQBFSUBP-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
monofluorobenzene (CHEBI:5115) is a monofluorobenzenes (CHEBI:83575)
Incoming Relation(s)
fludiazepam (CHEBI:31618) has functional parent monofluorobenzene (CHEBI:5115)
lapatinib (CHEBI:49603) has functional parent monofluorobenzene (CHEBI:5115)
Ro 320-1195 (CHEBI:45116) has functional parent monofluorobenzene (CHEBI:5115)
2-{[2-(2-chlorophenyl)-2-hydroxyethyl]amino}-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:143873) is a monofluorobenzene (CHEBI:5115)
IUPAC Name 
fluorobenzene
Synonyms  Source
FluorobenzeneKEGG COMPOUND
monofluorobenzeneNIST Chemistry WebBook
phenyl fluorideNIST Chemistry WebBook
FluorbenzolChEBI
Manual XrefsDatabases
C11272KEGG COMPOUND
FluorobenzeneWikipedia
CN101224914Patent
US4390740Patent
Registry NumbersSources
Gmelin:49856Gmelin
Reaxys:1236623Reaxys
CAS:462-06-6KEGG COMPOUND
CAS:462-06-6NIST Chemistry WebBook
CAS:462-06-6ChemIDplus
Citations