Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C8F18
Net Charge
0
Average Mass
438.05690
Monoisotopic Mass
437.97126
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