CHEBI:38826 - perfluorooctane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name perfluorooctane
ChEBI ID CHEBI:38826
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8F18
Net Charge 0
Average Mass 438.05690
Monoisotopic Mass 437.971
InChI InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
InChIKey YVBBRRALBYAZBM-UHFFFAOYSA-N
SMILES FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
ChEBI Ontology
Outgoing perfluorooctane (CHEBI:38826) has parent hydride octane (CHEBI:17590)
perfluorooctane (CHEBI:38826) is a fluoroalkane (CHEBI:24067)
perfluorooctane (CHEBI:38826) is a fluorocarbon (CHEBI:38824)
Incoming perfluorooctanoic acid (CHEBI:35549) has functional parent perfluorooctane (CHEBI:38826)
IUPAC Name
octadecafluorooctane
Synonyms Sources
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane NIST Chemistry WebBook
n-perfluorooctane NIST Chemistry WebBook
Perfluoroctan ChEBI
perfluorooctane ChemIDplus
Registry Numbers Types Sources
1717142 Beilstein Registry Number ChemIDplus
307-34-6 CAS Registry Number ChemIDplus
307-34-6 CAS Registry Number NIST Chemistry WebBook
614859 Gmelin Registry Number Gmelin
Last Modified
17 October 2017