CHEBI:39003 - perfluoro-1-methyladamantane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name perfluoro-1-methyladamantane
ChEBI ID CHEBI:39003
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3167375, ChemicalBook:CB4183426, eMolecules:494487, ZINC000000899824
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Formula C11F18
Net Charge 0
Average Mass 474.08896
Monoisotopic Mass 473.97126
InChI InChI=1S/C11F18/c12-2-5(15,16)1(11(27,28)29)6(17,18)3(13,8(2,21)22)10(25,26)4(14,7(1,19)20)9(2,23)24
InChIKey WKHMXCIUCCIPOU-UHFFFAOYSA-N
SMILES FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F
ChEBI Ontology
Outgoing perfluoro-1-methyladamantane (CHEBI:39003) has functional parent 1-methyladamantane (CHEBI:39004)
perfluoro-1-methyladamantane (CHEBI:39003) is a adamantanes (CHEBI:51339)
perfluoro-1-methyladamantane (CHEBI:39003) is a fluorocarbon (CHEBI:38824)
IUPAC Name
1,2,2,3,4,4,5,6,6,8,8,9,9,10,10-pentadecafluoro-7-(trifluoromethyl)adamantane
Synonyms Sources
1,2,2,3,4,4,5,6,6,8,8,9,9,10,10-pentadecafluoro-7-(trifluoromethyl)tricyclo[3.3.1.13,7]decane IUPAC
FMA ChEBI
perfluoromethyladamantane ChEBI
Tricyclo(3.3.1.1(3,7))decane,1,2,2,3,4,4,5,6,6,8,8,9,9,10,10-pentadecafluoro-7-(trifluoromethyl)- ChemIDplus
Registry Numbers Types Sources
2315298 Beilstein Registry Number Beilstein
60096-00-6 CAS Registry Number ChemIDplus
Last Modified
09 January 2009