4,4,5,5,6,6,6-Heptafluoro-1-(furan-2-yl)hexane-1,3-dione

HCID 222787
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
595-26-6
Standard SMILES
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccco1
InChIKey
ATAOWIQUJGHXOL-UHFFFAOYSA-N
Molecular formula
C10H5F7O3
Average molar mass
306.13 g/mol
Monoisotopic mass
306.01269156

Names & identifiers

Preferred name
4,4,5,5,6,6,6-Heptafluoro-1-(furan-2-yl)hexane-1,3-dione
IUPAC
4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione
English name
4,4,5,5,6,6,6-heptafluoro-1-(2-furyl)hexane-1,3-dione
Molecular formula
C10H5F7O3
Molecular weight
306.13

Names & synonyms

595-26-64,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dioneDTXSID90278736RefChem:284737DTXCID20229892NSC9711SCHEMBL45989724,4,5,5,6,6,6-Heptafluoro-1-(2-furyl)-1,3-hexanedioneNSC-9711NS001118941, 4,4,5,5,6,6,6-heptafluoro-1-(2-furyl)-4,4,5,5,6,6,6-heptafluoro-1-(2-furyl)hexane-1,3-dione
Show more names
1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-furanyl)-

Database identifiers

CAS
595-26-6
PubChem CID
222787
DTXSID
DTXSID90278736

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
47.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
20

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> OECD Category

PFAS -> Other/unspecified

Physicochemical properties

EPA Substance Registry System
4 · 4,4,5,5,6,6,6-Heptafluoro-1-(furan-2-yl)hexane-1,3-dione (595-26-6)

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Related reactions

2 records
New reaction record

Compound notes

Loading…