EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39319 - 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

ChEBI IDCHEBI:39319
ChEBI Name3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid
Stars
DefinitionAn organofluorine compound consisting of cyclopropanecarboxylic acid having a 2-chloro-3,3,3-trifluoroprop-1-en-1-yl group at the 3-position and two methyl groups at the 2-position.
Last Modified14 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H10ClF3O2
Net Charge0
Average Mass242.624
Monoisotopic Mass242.03214
SMILESCC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)O
InChIInChI=1S/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)
InChIKeySPVZAYWHHVLPBN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39319) has functional parent cyclopropanecarboxylic acid (CHEBI:23500)
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39319) is a monocarboxylic acid (CHEBI:25384)
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39319) is a organochlorine compound (CHEBI:36683)
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39319) is a organofluorine compound (CHEBI:37143)
Incoming Relation(s)
cyhalothrin (CHEBI:4035) has functional parent 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39319)
IUPAC Name 
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid
Synonym  Source
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acidChEBI
Registry NumbersSources
Reaxys:1969652Reaxys
CAS:74609-46-4ChemIDplus