CHEBI:83540 - bisperfluorodecyl phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bisperfluorodecyl phosphate
ChEBI ID CHEBI:83540
Definition A dialkyl phosphate in which the alkyl group specified is perfluorodecyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H9F34O4P
Net Charge 0
Average Mass 990.20250
Monoisotopic Mass 989.96955
InChI InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
InChIKey AFWOYEYXUDHGHF-UHFFFAOYSA-N
SMILES OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bisperfluorodecyl phosphate (CHEBI:83540) has role environmental contaminant (CHEBI:78298)
bisperfluorodecyl phosphate (CHEBI:83540) has role xenobiotic (CHEBI:35703)
bisperfluorodecyl phosphate (CHEBI:83540) is a dialkyl phosphate (CHEBI:16648)
bisperfluorodecyl phosphate (CHEBI:83540) is a organofluorine compound (CHEBI:37143)
IUPAC Name
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate
Registry Numbers Types Sources
11121026 Reaxys Registry Number Reaxys
678-41-1 CAS Registry Number ChemIDplus
Last Modified
19 November 2014